SCHEMBL1509588

SCHEMBL1509588

COc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2nc(-c3cc(-c4cccnc4OC)ccc3O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.45
▸ BRD4 O60885 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CHEK2 O96017 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL14090432 0.95 IRAK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090230 0.86 ALDH1A1 (0.55) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090417 0.85 NPC1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14090598 0.83 FGFR1 (0.46) HDAC6CARM1FGFR2
SCHEMBL14090225 0.82 HDAC6 (0.56) HDAC6CARM1EGFR
SCHEMBL1509498 0.81 ABCG2 (0.48) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090595 0.81 TBK1 (0.47) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12834512 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL12834062 0.81 CARM1 (0.48) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL12834010 0.81 CHEK2 (0.47) HDAC6CHEK2CARM1ACHE

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 7 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
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 CDK4 110/4885CCNA2 664/4885CCND1 1679/4885

“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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