SCHEMBL4513602

SCHEMBL4513602

Cc1cc(Nc2nc(N3C[C@H]4C[C@@]4(N)C3)nc3ncccc23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.45
▸ PAK1 Q13153 3/20 0.45
▸ PLK4 O00444 1/20 0.43
▸ NTRK1 P04629 1/20 0.40
▸ AURKA O14965 10/20 0.39
▸ AURKB Q96GD4 7/20 0.39
▸ SRC P12931 5/20 0.39
▸ GSK3B P49841 5/20 0.39
▸ EIF2AK2 P19525 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ IGF1R P08069 2/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL4529635 0.85 PAK4 (0.42) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL13633968 0.83 PAK4 (0.40) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL4515170 0.82 PAK4 (0.44) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL13634000 0.81 PAK4 (0.40) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL13633929 0.81 PAK4 (0.38) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL4524830 0.80 AURKA (0.41) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL4524824 0.80 AURKA (0.41) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL4534020 0.80 AURKA (0.41) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL13633931 0.79 PAK4 (0.52) PAK4PAK1PLK4NTRK1AURKA
SCHEMBL4527070 0.76 PAK4 (0.41) PAK4PAK1PLK4NTRK1AURKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PAK4 3321/4885PAK1 2492/4885PLK4 999/4885

“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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