SCHEMBL4529458

SCHEMBL4529458

COc1ccc2nc(N3C[C@@H]4C[C@H]3CN4S(C)(=O)=O)nc(Nc3cc(C)n[nH]3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.37
▸ PAK4 O96013 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ POLB P06746 4/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL4524170 0.82 AURKA (0.40) AURKAKDM4E
SCHEMBL4524529 0.79 JAK3 (0.34) CCR4
SCHEMBL4523076 0.69 EHMT2 (0.42) CCR4EHMT1
SCHEMBL4535405 0.68 AURKA (0.37) AURKA
SCHEMBL4525127 0.67 CCR4 (0.41) CCR4EHMT1
SCHEMBL4520280 0.67 MAP3K12 (0.38) MAPTKMT2AAURKAKDM4EALDH1A1
SCHEMBL4526182 0.66 EGFR (0.41) CCR4
SCHEMBL14323589 0.66 POLB (0.44) PDE10APOLBRAD52SLC2A1SMN1; SMN2
SCHEMBL4526191 0.65 ADRA1D (0.47) CCR4EHMT1POLBMAPTKDM4E
SCHEMBL4521403 0.65 WHR1 (0.43) CCR4EHMT1HSD17B10ALDH1A1KMT5A

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 claimed

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 CCR4 2557/4885PAK4 3321/4885PDE10A 4622/4885

“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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