SCHEMBL4519095

SCHEMBL4519095

[2H]c1ccnc2nc(N3CC4(CCN(C(C)=O)CC4)C3)nc(Nc3cc(C)n[nH]3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 16/20 0.41
▸ ALDH1A1 P00352 14/20 0.41
▸ HPGD P15428 11/20 0.41
▸ CYP2D6 P10635 6/20 0.41
▸ TSHR P16473 4/20 0.41
▸ USP2 O75604 4/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 3/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35

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
SCHEMBL4526646 0.92 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL4512984 0.82 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL4533134 0.79 HSD17B10 (0.48) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL13633950 0.78 PAK4 (0.46) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL4524523 0.78 WHR1 (0.46) —
SCHEMBL4511804 0.77 ALDH1A1 (0.44) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL4529942 0.72 PAK4 (0.39) HSD17B10TSHRKMT2A
SCHEMBL4524546 0.72 WHR1 (0.46) HSD17B10USP2CYP3A4CYP2C19
SCHEMBL4513370 0.71 ABCG2 (0.36) —
SCHEMBL4529415 0.70 WHR1 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — 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-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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