SCHEMBL1509504

SCHEMBL1509504

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCCC4CCCN4C)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
CARM1 Q86X55 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
TLR9 Q9NR96 2/20 0.46
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SCD O00767 1/20 0.42
TBK1 Q9UHD2 2/20 0.42
CHEK2 O96017 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL12833480 0.92 TLR9 (0.45) BRAFCARM1EGLN1TLR9TLR8
SCHEMBL14090479 0.91 CARM1 (0.46) CARM1CDK4CCNA2CCND1CDK2
SCHEMBL4964920 0.89 CARM1 (0.48) BRAFCARM1EGLN1TLR9TLR8
SCHEMBL14090564 0.88 CARM1 (0.51) BRAFCARM1CDK4CCNA2CCND1
SCHEMBL14090555 0.87 SCD (0.49) CARM1SCDTBK1CHEK2HDAC6
SCHEMBL14090466 0.87 KDM4E (0.46) CARM1TBK1CHEK2GSK3B
SCHEMBL14090530 0.86 GSK3B (0.46) CARM1EGLN1CDK4CCNA2CCND1
SCHEMBL1509464 0.86 CARM1 (0.48) CARM1EGLN1CDK4CCNA2CCND1
SCHEMBL14090561 0.85 HDAC6 (0.45) CARM1CDK4CCNA2CCND1CDK2
SCHEMBL1509540 0.85 RAB9A (0.47) CARM1EGLN1CDK4CCNA2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US claimed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP claimed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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 (1 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 BRAF 53/4885CARM1 785/4885EGLN1 4009/4885

“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.