Sugi Predict

Sugi Predict / Compounds / SCHEMBL3314825

SCHEMBL3314825

SCHEMBL3314825

Nc1ccc(CN2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 8/20 0.45
▸ KDM5C P41229 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ PAICS P22234 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38

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
SCHEMBL3399672 0.91 HRH3 (0.47) CXCR4KDM5CKDM4CSIGMAR1PAICS
SCHEMBL530048 0.84 HRH3 (0.53) HRH3CHRM2CHRM1ALDH1A1
SCHEMBL17403599 0.82 SCN9A (0.41) KDM5CKDM4CKMT2AALDH1A1
SCHEMBL3065752 0.80 CXCR4 (0.45) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL1126270 0.80 GAA (0.49) HRH3MEN1CHRM2CHRM1KMT2A
SCHEMBL13764446 0.80 CXCR4 (0.45) CXCR4KDM5CKDM4CSIGMAR1PAICS
SCHEMBL20160684 0.80 CXCR4 (0.49) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL1126227 0.80 LMNA (0.57) PAICSHRH3ADRA2CKMT2ATDP1
SCHEMBL29475484 0.80 LMNA (0.57) PAICSHRH3ADRA2CKMT2ATDP1
SCHEMBL465732 0.80 HRH3 (0.53) CXCR4HRH3MEN1KMT2AALDH1A1

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 19 patents. 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-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-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 — — US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 — — WO claimed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 — — EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 — — US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 — — US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 — — US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 — — US disclosed
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 — — CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — 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
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 CXCR4 1641/4885KDM5C 1087/4885KDM4C 1361/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885KDM5C 902/4885KDM4C 1272/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885KDM5C 902/4885KDM4C 1272/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CXCR4 2226/4885KDM5C 902/4885KDM4C 1272/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CXCR4 1023/4885KDM5C 1431/4885KDM4C 1753/4885

“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.