SCHEMBL399990

SCHEMBL399990

O=C1c2ccccc2C(=O)N1Cc1nccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
CASP3 P42574 2/20 0.47
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.44
GRM5 P41594 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26963703 0.80 ALDH1A1 (0.54) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL29940891 0.80 ALDH1A1 (0.54) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL30950006 0.75 MEN1 (0.49) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL25384515 0.75 CASP3 (0.46) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL19067176 0.74 ALDH1A1 (0.51) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL22290217 0.74 CYP1A2 (0.50) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL930356 0.73 ALDH1A1 (0.54) ALDH1A1MEN1PKMKMT2AMAPK1
SCHEMBL22290248 0.73 CYP1A2 (0.56) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL10430902 0.73 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL29843133 0.73 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2ACASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-10793576-B2 Compound used as Bruton's tyrosine kinase inhibitor and preparation method and application thereof CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2020-10-06 US disclosed
US-10793576-B2 Compound used as Bruton's tyrosine kinase inhibitor and preparation method and application thereof CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2020-10-06 US disclosed
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2020-07-16 US disclosed
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases University of Washington Through its Center for Co (US) 2020-01-28 US disclosed
US-20190315758-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2019-10-17 US disclosed
US-20190315758-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2019-10-17 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
WO-2007067709-A1 PROCESS TO PREPARE SUBSTITUTED IMIDAZOPYRAZINE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067709-A1 PROCESS TO PREPARE SUBSTITUTED IMIDAZOPYRAZINE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885MEN1 4529/4885PKM 275/4885
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds ZYX, BRPF3, NBAS ALDH1A1 3976/4885MEN1 469/4885PKM 3824/4885
US-20190315758-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF BTK, SYK, LYN ALDH1A1 4326/4885MEN1 3252/4885PKM 1926/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885MEN1 4529/4885PKM 275/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885MEN1 4529/4885PKM 275/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 ALDH1A1 4496/4885MEN1 1152/4885PKM 965/4885
US-10793576-B2 Compound used as Bruton's tyrosine kinase inhibitor and preparation method and application thereof BTK, SYK, LYN ALDH1A1 4326/4885MEN1 3252/4885PKM 1926/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885MEN1 4529/4885PKM 275/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885MEN1 1368/4885PKM 724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.