SCHEMBL2949706

SCHEMBL2949706

Nc1ncc(N2CCOCC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MTOR P42345 7/20 0.57
PIK3R1 P27986 3/20 0.57
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
DHFR P00374 1/20 0.51
MAP3K12 Q12852 1/20 0.50
AKT1 P31749 7/20 0.48
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
LGMN Q99538 1/20 0.46

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
SCHEMBL1735480 0.79 CNR2 (0.55) CNR2POLBLMNAMAPTKDM4E
SCHEMBL12057439 0.79 CNR2 (0.47) PIK3CAPIK3CDPIK3CBCNR2POLB
SCHEMBL12093777 0.79 MAPT (0.51) PIK3CAMTORPIK3R1CNR2POLB
SCHEMBL16427595 0.79 CNR2 (0.47) CNR2POLBLMNAMAPTKDM4E
SCHEMBL521049 0.79 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDDHFR
SCHEMBL2941802 0.78 MAPT (0.48) PIK3CADHFRPOLBLMNAMAPT
Hydrochloric Acid SCHEMBL1735765 0.78 CNR2 (0.46) PIK3CAPIK3CDPIK3CBCNR2POLB
SCHEMBL12991818 0.77 LGMN (0.49) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL359690 0.76 LGMN (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL2711385 0.76 LGMN (0.47) PIK3CAMTORPIK3R1DHFRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 CN disclosed
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 WO disclosed
CN-110818641-A Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2020-02-21 CN disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
US-7750019-B2 Pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2010-07-06 US disclosed
EP-2055703-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(PYRIDYLMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL COMPRISING THE COMPOUND Kowa Company. Ltd. (JP) 2009-05-06 EP disclosed
US-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2009-02-26 US disclosed
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN 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 (2 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-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same CETP, TYMP, MTTP PIK3CA 3170/4885MTOR 2141/4885PIK3R1 2625/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 PIK3CA 226/4885MTOR 349/4885PIK3R1 358/4885

“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.