SCHEMBL2230256

SCHEMBL2230256

CC(C)n1ccc2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
CYP19A1 P11511 3/20 0.45
MAPT P10636 11/20 0.44
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4546572 0.85 NFATC1 (0.42) NFATC1GSK3BDYRK1ACYP19A1MAPT
SCHEMBL28573158 0.81 CYP19A1 (0.45) CYP19A1MAPTCDC7CDK2SLC22A12
SCHEMBL2127959 0.80 SLC22A12 (0.44) CYP19A1MAPTCDC7CDK2RAPGEF4
SCHEMBL23084376 0.78 SLC6A2 (0.50) CYP19A1MAPTCDC7CDK2RAPGEF4
SCHEMBL18821952 0.77 CYP19A1 (0.40) CYP19A1MAPTCDC7CDK2RAPGEF4
SCHEMBL27647386 0.77 RAPGEF4 (0.37) CYP19A1MAPTCDC7CDK2RAPGEF4
SCHEMBL19250470 0.76 JAK2 (0.36) NFATC1GSK3BDYRK1ACDK2
SCHEMBL15341744 0.75 HTR2A (0.44) NFATC1GSK3BDYRK1ARAPGEF4HTR2A
SCHEMBL29509135 0.74 MAPT (0.68) NFATC1GSK3BDYRK1ACYP19A1MAPT
SCHEMBL255050 0.74 MAPT (0.68) NFATC1GSK3BDYRK1ACYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 US disclosed
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-20230026056-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-01-26 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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 (12 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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 NFATC1 2433/4885GSK3B 518/4885DYRK1A 1313/4885
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB NFATC1 1129/4885GSK3B 155/4885DYRK1A 1574/4885
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 NFATC1 2411/4885GSK3B 1960/4885DYRK1A 3333/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NFATC1 9/4885GSK3B 1721/4885DYRK1A 4017/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT NFATC1 1437/4885GSK3B 1359/4885DYRK1A 4786/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB NFATC1 1129/4885GSK3B 155/4885DYRK1A 1574/4885
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 NFATC1 547/4885GSK3B 2618/4885DYRK1A 1517/4885
US-20230026056-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH NFATC1 3119/4885GSK3B 4524/4885DYRK1A 4770/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH NFATC1 3119/4885GSK3B 4524/4885DYRK1A 4770/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD NFATC1 1077/4885GSK3B 168/4885DYRK1A 3072/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT NFATC1 1437/4885GSK3B 1359/4885DYRK1A 4786/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH NFATC1 3119/4885GSK3B 4524/4885DYRK1A 4770/4885

“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.