SCHEMBL4517701

SCHEMBL4517701

COc1cccc2c(Nc3cc(C)[nH]n3)nc(N3C[C@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.47
▸ AURKB Q96GD4 9/20 0.47
▸ JAK2 O60674 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ PAK4 O96013 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ PLK4 O00444 1/20 0.34
▸ RET P07949 2/20 0.34
▸ NTRK1 P04629 1/20 0.34

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
SCHEMBL4517697 1.00 AURKA (0.47) AURKAAURKBJAK2GSK3BPAK4
SCHEMBL4531074 1.00 AURKA (0.47) AURKAAURKBJAK2GSK3BPAK4
SCHEMBL4524824 0.85 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4534020 0.85 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4524830 0.85 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4526414 0.83 AURKA (0.51) AURKAAURKBJAK2GSK3BPAK4
SCHEMBL13633929 0.74 PAK4 (0.38) AURKAAURKBJAK2PAK4PAK1
SCHEMBL13633968 0.69 PAK4 (0.40) AURKAAURKBJAK2GSK3BPAK4
SCHEMBL13634000 0.67 PAK4 (0.40) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4529635 0.66 PAK4 (0.42) AURKAAURKBJAK2GSK3BPAK4

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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US claimed
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 AURKA 401/4885AURKB 519/4885JAK2 1073/4885

“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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