SCHEMBL4526414

SCHEMBL4526414

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.51
▸ AURKB Q96GD4 9/20 0.51
▸ GSK3B P49841 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ PAK4 O96013 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ FGFR2 P21802 1/20 0.36

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
SCHEMBL4531074 0.83 AURKA (0.47) AURKAAURKBGSK3BJAK2PAK4
SCHEMBL4517701 0.83 AURKA (0.47) AURKAAURKBGSK3BJAK2PAK4
SCHEMBL4517697 0.83 AURKA (0.47) AURKAAURKBGSK3BJAK2PAK4
SCHEMBL4524778 0.72 JAK2 (0.34) AURKAAURKBJAK2IGF1R
SCHEMBL30250114 0.69 PAK1 (0.51) AURKAAURKBPAK4PAK1PLK4
SCHEMBL14605937 0.68 PAK1 (0.69) AURKBGSK3BJAK2PAK4PAK1
SCHEMBL4524830 0.68 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4524824 0.68 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL4534020 0.68 AURKA (0.41) AURKAAURKBJAK2PAK4PAK1
SCHEMBL14605910 0.67 AURKB (0.39) AURKAAURKBPAK4PAK1PLK4

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 519/4885GSK3B 695/4885

“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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