SCHEMBL4531878

SCHEMBL4531878

Cc1cc(Nc2nc(N3C[C@@H]4[C@H](C3)C4(C#N)N3CCOCC3)nc3ncccc23)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.47
▸ PAK4 O96013 3/20 0.41
▸ PAK1 Q13153 2/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ SYK P43405 2/20 0.38
▸ JAK3 P52333 8/20 0.37
▸ TYK2 P29597 6/20 0.37
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 4/20 0.37
▸ IGF1R P08069 2/20 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
SCHEMBL5316477 1.00 NTRK1 (0.47) NTRK1PAK4PAK1PLK4SYK
SCHEMBL4513602 0.73 PAK4 (0.45) NTRK1PAK4PAK1PLK4JAK3
SCHEMBL13633931 0.72 PAK4 (0.52) NTRK1PAK4PAK1PLK4SYK
SCHEMBL8243146 0.72 PAK4 (0.46) NTRK1PAK4PAK1PLK4JAK3
SCHEMBL4525983 0.72 AURKA (0.47) NTRK1PAK4PAK1PLK4JAK3
SCHEMBL5476795 0.72 AURKA (0.47) NTRK1PAK4PAK1PLK4JAK3
SCHEMBL4515170 0.71 PAK4 (0.44) NTRK1PAK4PAK1PLK4JAK2
SCHEMBL13633930 0.71 PAK4 (0.44) NTRK1PAK4PAK1PLK4JAK2
SCHEMBL4529635 0.70 PAK4 (0.42) NTRK1PAK4PAK1PLK4JAK3
SCHEMBL4524538 0.70 IGF1R (0.50) PAK4PAK1PLK4JAK3TYK2

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 NTRK1 4004/4885PAK4 3321/4885PAK1 2492/4885

“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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