SCHEMBL1509540

SCHEMBL1509540

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCCCN4CCCCC4C)cc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HTR3A P46098 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CARM1 Q86X55 1/20 0.45
CACNA1G O43497 8/20 0.43
SLC2A1 P11166 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41

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
SCHEMBL12834549 0.90 RAB9A (0.47) RAB9ANPC1HTR3AKDM4EALDH1A1
SCHEMBL4964915 0.90 RAB9A (0.48) RAB9ANPC1HTR3AKDM4EALDH1A1
SCHEMBL1509464 0.88 CARM1 (0.48) CARM1TBK1EGLN1CDK4CCNA2
SCHEMBL12833465 0.88 GAA (0.41) RAB9ANPC1HTR3AGAACARM1
SCHEMBL14090564 0.87 CARM1 (0.51) CARM1TBK1CDK4CCNA2CCND1
SCHEMBL12834062 0.86 CARM1 (0.48) CARM1TBK1CDK4CCNA2CCND1
SCHEMBL14090479 0.86 CARM1 (0.46) CARM1TBK1CDK4CCNA2CCND1
SCHEMBL14090500 0.85 EGLN1 (0.48) KDM4EALDH1A1GAACARM1HSD17B10
SCHEMBL1509504 0.85 BRAF (0.47) CARM1TBK1EGLN1CDK4CCNA2
SCHEMBL14090522 0.85 CARM1 (0.43) CARM1TBK1CDK4CCNA2CCND1

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 RAB9A 2622/4885NPC1 2983/4885HTR3A 3701/4885

“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.