SCHEMBL12833685

SCHEMBL12833685

COc1ncccc1-c1ccc2nc(-c3nc4nc(N5CCN(C)CC5)ccc4[nH]3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.50
▸ HRH4 Q9H3N8 1/20 0.48
▸ CARM1 Q86X55 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ SOAT1 P35610 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SLCO2B1 O94956 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43

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
SCHEMBL1509531 0.81 ALDH1A1 (0.50) HRH4CARM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14090230 0.78 ALDH1A1 (0.55) CARM1DGAT1SOAT1KCNH2ALDH1A1
SCHEMBL12833683 0.76 FGFR1 (0.44) CARM1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL12834137 0.73 FGFR1 (0.50) DGAT1KDM4EFGFR1TBK1
SCHEMBL16462882 0.71 ABCG2 (0.51) CARM1CDK4CCNA2CCND1CDK2
SCHEMBL1509553 0.70 SMN1; SMN2 (0.45) SMN1; SMN2RAB9A
SCHEMBL1509467 0.69 DHFR (0.43) HRH4CARM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19005238 0.68 TBK1 (0.77) TBK1
SCHEMBL14090419 0.68 RIPK1 (0.46) HRH4CARM1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5333587 0.68 PRMT5 (0.57) PRMT5DGAT1SOAT1KCNH2ALDH1A1

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 6 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 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 PRMT5 1054/4885HRH4 402/4885CARM1 785/4885

“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.

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