SCHEMBL4535405

SCHEMBL4535405

COC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Nc2cc(C)n[nH]2)c2cccc(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ VCP P55072 2/20 0.34
▸ ERBB2 P04626 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ BRAF P15056 1/20 0.33

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
SCHEMBL4520280 0.92 MAP3K12 (0.38) AURKAAURKBJAK3BTKPIN1
SCHEMBL4524170 0.86 AURKA (0.40) AURKAAURKBVCPHTR2A
SCHEMBL4521856 0.76 PIN1 (0.40) JAK3BTKPARP1PIN1
SCHEMBL4521409 0.76 BTK (0.39) JAK3BTKPIN1
SCHEMBL4529458 0.68 CCR4 (0.37) AURKA
SCHEMBL4524529 0.68 JAK3 (0.34) JAK3PARP1PIN1
SCHEMBL2200771 0.67 AURKB (0.53) AURKAAURKBEGFR
SCHEMBL4526182 0.67 EGFR (0.41) EGFR
SCHEMBL7147631 0.64 CETP (0.43) AURKAAURKB
SCHEMBL2205535 0.64 AURKA (0.54) AURKAAURKB

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 519/4885EGFR 326/4885

“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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