SCHEMBL4513370

SCHEMBL4513370

CC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)n[nH]4)c4cccnc4n3)C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ CCR4 P51679 3/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ HCRTR1 O43613 9/20 0.34
▸ HCRTR2 O43614 9/20 0.34
▸ APP P05067 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 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
SCHEMBL4515212 0.90 CCR4 (0.35) CCR4HCRTR1HCRTR2IGF1RPRKCQ
SCHEMBL4512965 0.90 AXL (0.35) CCR4HCRTR1HCRTR2APPBCHE
SCHEMBL4524778 0.89 JAK2 (0.34) CCR4IGF1RPRKCQPRKCD
SCHEMBL4531067 0.87 PAK4 (0.37) CCR4PRKCQPRKCD
SCHEMBL4521519 0.86 CCR4 (0.36) ABCG2CCR4HCRTR1HCRTR2APP
SCHEMBL4521530 0.82 CCR4 (0.36) CCR4PRKCQPRKCD
SCHEMBL5314611 0.81 PAK4 (0.34) ABCG2CCR4PRKCQPRKCD
SCHEMBL4529942 0.81 PAK4 (0.39) CCR4IGF1RPRKCQPRKCD
SCHEMBL4512389 0.81 AXL (0.36) CCR4HCRTR1HCRTR2APPIGF1R
SCHEMBL4521409 0.80 BTK (0.39) ABCG2CCR4LTA4H

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 ABCG2 90/4885CCR4 2557/4885LTA4H 3258/4885

“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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