SCHEMBL4524824

SCHEMBL4524824

Cc1cc(Nc2nc(N3C[C@H]4C[C@@]4(NC(=O)OC(C)(C)C)C3)nc3ncccc23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ PAK4 O96013 2/20 0.38
▸ PAK1 Q13153 2/20 0.38
▸ JAK1 P23458 5/20 0.37
▸ TYK2 P29597 5/20 0.37
▸ JAK3 P52333 5/20 0.37
▸ JAK2 O60674 5/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ NTRK1 P04629 1/20 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
SCHEMBL4524830 1.00 AURKA (0.41) AURKAAURKBPAK4PAK1JAK1
SCHEMBL4534020 1.00 AURKA (0.41) AURKAAURKBPAK4PAK1JAK1
SCHEMBL13633929 0.89 PAK4 (0.38) AURKAAURKBPAK4PAK1JAK1
SCHEMBL4517697 0.85 AURKA (0.47) AURKAAURKBPAK4PAK1JAK2
SCHEMBL4517701 0.85 AURKA (0.47) AURKAAURKBPAK4PAK1JAK2
SCHEMBL4531074 0.85 AURKA (0.47) AURKAAURKBPAK4PAK1JAK2
SCHEMBL13633968 0.84 PAK4 (0.40) AURKAAURKBPAK4PAK1JAK1
SCHEMBL13634000 0.82 PAK4 (0.40) AURKAAURKBPAK4PAK1JAK1
SCHEMBL4529635 0.81 PAK4 (0.42) AURKAAURKBPAK4PAK1JAK1
SCHEMBL4513602 0.80 PAK4 (0.45) AURKAAURKBPAK4PAK1JAK1

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 3 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
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 519/4885PAK4 3321/4885

“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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