SCHEMBL4524542

SCHEMBL4524542

Cc1cc(Nc2nc(N3C[C@H]4CC[C@@H]3C4)nc3ncccc23)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.50
▸ TYK2 P29597 16/20 0.46
▸ JAK3 P52333 16/20 0.46
▸ JAK2 O60674 12/20 0.46
▸ JAK1 P23458 12/20 0.46
▸ PAK4 O96013 2/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ PLK4 O00444 1/20 0.43
▸ P2RX3 P56373 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ GSK3B P49841 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
SCHEMBL4524538 1.00 IGF1R (0.50) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL4521438 0.85 IGF1R (0.40) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL8243146 0.81 PAK4 (0.46) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL10267511 0.76 AURKA (0.53) IGF1RPAK4PLK4AURKASRC
SCHEMBL13633931 0.76 PAK4 (0.52) IGF1RJAK2PAK4PAK1PLK4
SCHEMBL4513602 0.75 PAK4 (0.45) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL802876 0.74 PLK4 (0.62) PAK4PLK4AURKASRCGSK3B
SCHEMBL30227668 0.74 PLK4 (0.62) PAK4PLK4AURKASRCGSK3B
SCHEMBL23878910 0.73 TYK2 (0.57) TYK2JAK3JAK2JAK1PAK4
SCHEMBL4525983 0.73 AURKA (0.47) IGF1RJAK3JAK2PAK4PAK1

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 1 patent. 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

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 IGF1R 958/4885TYK2 3438/4885JAK3 2725/4885

“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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