SCHEMBL1509568

SCHEMBL1509568

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(c6ccncc6)CC5)cc4)cc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.44
ABCB1 P08183 2/20 0.44
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
CARM1 Q86X55 1/20 0.42
HTR2A P28223 1/20 0.41
TBK1 Q9UHD2 3/20 0.41
HPSE Q9Y251 2/20 0.41
ATM Q13315 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 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
SCHEMBL1509498 0.93 ABCG2 (0.48) ABCG2ABCB1CARM1TBK1HPSE
SCHEMBL14090595 0.91 TBK1 (0.47) ABCB1TBK1HPSEHDAC3HDAC1
SCHEMBL4966403 0.90 ABCG2 (0.46) ABCG2ABCB1HTR1ADRD2CARM1
SCHEMBL14090449 0.89 ABCG2 (0.44) ABCG2ABCB1DRD2CARM1TBK1
SCHEMBL14090446 0.89 HSD17B10 (0.45) ABCB1TBK1HPSEHDAC6MAPT
SCHEMBL14090604 0.88 CDK4 (0.50) HTR1ACARM1HTR2ACDK4CCNA2
SCHEMBL12834002 0.87 ABCB1 (0.45) ABCG2ABCB1CARM1TBK1HPSE
SCHEMBL14090225 0.87 HDAC6 (0.56) CARM1TBK1HDAC3HDAC1HDAC2
SCHEMBL1509641 0.87 DRD2 (0.43) ABCG2ABCB1HTR1ADRD2HTR2A
SCHEMBL16462882 0.87 ABCG2 (0.51) ABCG2ABCB1CARM1TBK1HPSE

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 9 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
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP claimed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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

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 ABCG2 3134/4885ABCB1 2579/4885HTR1A 3574/4885

“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.