SCHEMBL3321207

SCHEMBL3321207

Nc1ccc(CN2CCNCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2C P18825 1/20 0.51
CCR2 P41597 1/20 0.51
CXCL12 P48061 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL29475479 1.00 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1
Tert-Butyl Formate SCHEMBL27844210 0.84 ACVR1 (0.39) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL1035345 0.84 ALDH1A1 (0.56) HRH3
SCHEMBL23586795 0.83 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL4267512 0.83 ALDH1A1 (0.59) HRH3
Hydrochloric Acid SCHEMBL1126088 0.83 ALDH1A1 (0.55) HRH3
SCHEMBL1126144 0.82 CDK4 (0.43) KMT2A
SCHEMBL13937097 0.81 SIGMAR1 (0.52) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL19231770 0.80 CYP2D6 (0.58) MEN1KMT2A
SCHEMBL19171016 0.80 MEN1 (0.41) SIGMAR1MEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US claimed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US claimed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
WO-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 WO disclosed
EP-3746072-B1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2023-04-12 EP disclosed
EP-3746072-B1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2023-04-12 EP disclosed
US-11352341-B2 2H-indazole derivatives as CDK4 and CDK6 inhibitors and therapeutic uses thereof BETA PHARMA, INC. (US) 2022-06-07 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 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 (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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 CXCR4 1641/4885SIGMAR1 597/4885MEN1 945/4885
US-11352341-B2 2H-indazole derivatives as CDK4 and CDK6 inhibitors and therapeutic uses thereof CDK4, CDK6, CDK3 CXCR4 865/4885SIGMAR1 4213/4885MEN1 3564/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885SIGMAR1 1471/4885MEN1 1418/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885SIGMAR1 1471/4885MEN1 1418/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885SIGMAR1 1471/4885MEN1 1418/4885

“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.