SCHEMBL14574865

SCHEMBL14574865

Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)nn2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 1.00
PIK3CA P42336 19/20 1.00
PIK3CB P42338 19/20 1.00
PIK3CG P48736 19/20 1.00
PRKDC P78527 19/20 1.00
ABL1 P00519 18/20 1.00
EGFR P00533 18/20 1.00
HCK P08631 18/20 1.00
SRC P12931 18/20 1.00
KDR P35968 18/20 1.00
MTOR P42345 18/20 1.00
EPHB4 P54760 18/20 1.00
PI4KB Q9UBF8 9/20 0.86
ATR Q13535 2/20 0.71
DAPK3 O43293 1/20 0.71
JAK2 O60674 1/20 0.71
ROCK2 O75116 1/20 0.71
PRKD3 O94806 1/20 0.71
MAP4K4 O95819 1/20 0.71
PAK4 O96013 1/20 0.71

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
SCHEMBL14574776 0.93 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655710 0.87 ATR (0.78) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655567 0.85 ATR (0.88) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387351 0.84 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30203857 0.83 EGFR (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30203858 0.83 EGFR (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12265009 0.83 EGFR (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655561 0.81 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130423 0.81 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655155 0.81 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US claimed
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-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-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
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
EP-2528919-B1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS. CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES UNIV WASHINGTON (US) 2016-11-02 EP disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US 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 (5 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-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 PIK3CD 167/4885PIK3CA 243/4885PIK3CB 208/4885
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 PIK3CD 167/4885PIK3CA 243/4885PIK3CB 208/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 PIK3CD 167/4885PIK3CA 243/4885PIK3CB 208/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 PIK3CD 167/4885PIK3CA 243/4885PIK3CB 208/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 PIK3CD 167/4885PIK3CA 243/4885PIK3CB 208/4885

“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.