SCHEMBL4531062

SCHEMBL4531062

Cc1cc(Nc2nc(N3C[C@@H]4[CH][C@@]4(C(N)=O)C3)nc3ncccc23)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.34
▸ PAK4 O96013 1/20 0.31
▸ PAK1 Q13153 1/20 0.31
▸ PRKCQ Q04759 4/20 0.30
▸ PRKCD Q05655 4/20 0.30
▸ PRKCA P17252 3/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKD1 Q15139 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ APP P05067 1/20 0.30
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30

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
SCHEMBL5263624 1.00 CCR4 (0.34) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4521519 0.84 CCR4 (0.36) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4513370 0.79 ABCG2 (0.36) CCR4PRKCQPRKCDABCG2IGF1R
SCHEMBL4531067 0.79 PAK4 (0.37) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4521530 0.78 CCR4 (0.36) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL5314611 0.77 PAK4 (0.34) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4529942 0.77 PAK4 (0.39) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4526646 0.77 HSD17B10 (0.44) CCR4
SCHEMBL4511804 0.76 ALDH1A1 (0.44) CCR4PAK4PRKCQPRKCDPRKCA
SCHEMBL4515212 0.75 CCR4 (0.35) CCR4PRKCQPRKCDPRKCAPRKCG

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 CCR4 2557/4885PAK4 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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