SCHEMBL4521519

SCHEMBL4521519

Cc1cc(Nc2nc(N3CC(C(N)=O)C3)nc3ncccc23)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.36
▸ HCRTR1 O43613 9/20 0.35
▸ HCRTR2 O43614 9/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ APP P05067 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PRKCQ Q04759 2/20 0.33
▸ PRKCD Q05655 2/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33

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
SCHEMBL4513370 0.86 ABCG2 (0.36) CCR4HCRTR1HCRTR2APPABCG2
SCHEMBL4531067 0.86 PAK4 (0.37) CCR4PAK4PAK1PRKCQPRKCD
SCHEMBL4521530 0.85 CCR4 (0.36) CCR4GRM4PAK4PAK1PRKCQ
SCHEMBL4531062 0.84 CCR4 (0.34) CCR4HCRTR1HCRTR2APPPAK4
SCHEMBL5263624 0.84 CCR4 (0.34) CCR4HCRTR1HCRTR2APPPAK4
SCHEMBL5314611 0.82 PAK4 (0.34) CCR4PAK4PAK1ABCG2PRKCQ
SCHEMBL4529942 0.82 PAK4 (0.39) CCR4PAK4PAK1IGF1RPRKCQ
SCHEMBL4512965 0.82 AXL (0.35) CCR4HCRTR1HCRTR2APPIGF1R
SCHEMBL4515212 0.82 CCR4 (0.35) CCR4HCRTR1HCRTR2IGF1RPRKCQ
SCHEMBL4512389 0.81 AXL (0.36) CCR4HCRTR1HCRTR2APPIGF1R

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 2557/4885HCRTR1 2823/4885HCRTR2 3735/4885

“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.

Send feedback