SCHEMBL4525983

SCHEMBL4525983

Cc1cc(Nc2nc(N3C[C@@H]4C(NCc5ccccc5)[C@@H]4C3)nc3ncccc23)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.47
▸ AURKB Q96GD4 5/20 0.47
▸ PAK4 O96013 4/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ NTRK1 P04629 9/20 0.45
▸ RET P07949 3/20 0.44
▸ PAK1 Q13153 1/20 0.43
▸ GSK3B P49841 2/20 0.41
▸ SRC P12931 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ LTK P29376 1/20 0.41

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
SCHEMBL5476795 1.00 AURKA (0.47) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL4513602 0.75 PAK4 (0.45) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL8243146 0.75 PAK4 (0.46) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL4524542 0.73 IGF1R (0.50) AURKAPAK4PLK4PAK1GSK3B
SCHEMBL4524538 0.73 IGF1R (0.50) AURKAPAK4PLK4PAK1GSK3B
SCHEMBL13633931 0.73 PAK4 (0.52) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL4515170 0.73 PAK4 (0.44) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL10267511 0.72 AURKA (0.53) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL4529635 0.72 PAK4 (0.42) AURKAAURKBPAK4PLK4NTRK1
SCHEMBL5316477 0.72 NTRK1 (0.47) PAK4PLK4NTRK1PAK1JAK2

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 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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