SCHEMBL4526646

SCHEMBL4526646

CC(=O)N1CCC2(CC1)CN(c1nc(Nc3cc(C)n[nH]3)c3cccnc3n1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 12/20 0.44
▸ ALDH1A1 P00352 12/20 0.44
▸ HPGD P15428 9/20 0.44
▸ USP2 O75604 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CYP2D6 P10635 5/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CCR4 P51679 3/20 0.37
▸ GRM4 Q14833 1/20 0.37

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
SCHEMBL4519095 0.92 HSD17B10 (0.41) HSD17B10ALDH1A1HPGDUSP2TSHR
SCHEMBL4512984 0.90 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDUSP2TSHR
SCHEMBL4535745 0.89 ACACB (0.41) HSD17B10ALDH1A1HPGDUSP2CYP2D6
SCHEMBL4533134 0.87 HSD17B10 (0.48) HSD17B10ALDH1A1HPGDUSP2TSHR
SCHEMBL13633950 0.86 PAK4 (0.46) HSD17B10ALDH1A1HPGDUSP2TSHR
SCHEMBL4511804 0.86 ALDH1A1 (0.44) HSD17B10ALDH1A1HPGDUSP2TSHR
SCHEMBL4529942 0.81 PAK4 (0.39) HSD17B10TSHRKMT2ACCR4
SCHEMBL4524523 0.80 WHR1 (0.46) CCR4
SCHEMBL4513370 0.79 ABCG2 (0.36) CCR4
SCHEMBL5314611 0.79 PAK4 (0.34) CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP claimed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO claimed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US disclosed
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP disclosed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 HSD17B10 944/4885ALDH1A1 772/4885HPGD 1017/4885

“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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