SCHEMBL13633931

SCHEMBL13633931

Cc1cc(Nc2nc(N3CC4(CCNCC4)C3)nc3ncccc23)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 4/20 0.52
▸ PLK4 O00444 2/20 0.52
▸ PAK1 Q13153 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ NTRK1 P04629 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AURKA O14965 10/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ SRC P12931 3/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ SYK P43405 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ IGF1R P08069 2/20 0.40

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
SCHEMBL13633930 0.87 PAK4 (0.44) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL13633950 0.86 PAK4 (0.46) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL4511804 0.85 ALDH1A1 (0.44) PAK4PLK4ALDH1A1HPGDHSD17B10
SCHEMBL4515170 0.82 PAK4 (0.44) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL4513602 0.79 PAK4 (0.45) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL4527070 0.78 PAK4 (0.41) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL13633968 0.77 PAK4 (0.40) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL10267511 0.76 AURKA (0.53) PAK4PLK4NTRK1AURKAAURKB
SCHEMBL4529635 0.76 PAK4 (0.42) PAK4PLK4PAK1JAK2NTRK1
SCHEMBL4524538 0.76 IGF1R (0.50) PAK4PLK4PAK1JAK2AURKA

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 2 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
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US 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 3321/4885PLK4 999/4885PAK1 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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