SCHEMBL13633950

SCHEMBL13633950

CC(=O)N1CCC2(CC1)CN(c1nc(Nc3cc(C)[nH]n3)c3cccnc3n1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 8/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PAK1 Q13153 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ JAK2 O60674 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RET P07949 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 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
SCHEMBL13633930 0.87 PAK4 (0.44) PAK4PAK1PLK4NTRK1JAK2
SCHEMBL4526646 0.86 HSD17B10 (0.44) ALDH1A1HSD17B10HPGDUSP2TSHR
SCHEMBL13633931 0.86 PAK4 (0.52) PAK4ALDH1A1HSD17B10HPGDPAK1
SCHEMBL4527070 0.79 PAK4 (0.41) PAK4PAK1PLK4NTRK1JAK2
SCHEMBL4519095 0.78 HSD17B10 (0.41) ALDH1A1HSD17B10HPGDUSP2TSHR
SCHEMBL4515170 0.78 PAK4 (0.44) PAK4PAK1PLK4NTRK1JAK2
SCHEMBL4529635 0.77 PAK4 (0.42) PAK4PAK1PLK4NTRK1JAK2
SCHEMBL4512984 0.77 HSD17B10 (0.49) ALDH1A1HSD17B10HPGDUSP2TSHR
SCHEMBL4535745 0.76 ACACB (0.41) ALDH1A1HSD17B10HPGDUSP2CYP2D6
SCHEMBL13633929 0.75 PAK4 (0.38) PAK4PAK1PLK4NTRK1JAK2

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 2 patents. 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
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 PAK4 3321/4885ALDH1A1 772/4885HSD17B10 944/4885

“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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