SCHEMBL4512965

SCHEMBL4512965

COCC(=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 9)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.35
▸ CCR4 P51679 3/20 0.35
▸ APP P05067 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ PRKCQ Q04759 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 0.90 ABCG2 (0.36) CCR4APPACHEBCHEIGF1R
SCHEMBL4512389 0.88 AXL (0.36) AXLCCR4APPIGF1RHCRTR1
SCHEMBL4524778 0.86 JAK2 (0.34) CCR4IGF1RPRKCQ
SCHEMBL4515212 0.85 CCR4 (0.35) AXLCCR4IGF1RHCRTR1HCRTR2
SCHEMBL4531067 0.82 PAK4 (0.37) CCR4PRKCQ
SCHEMBL4526388 0.82 HCRTR1 (0.34) AXLHCRTR1HCRTR2
SCHEMBL4521519 0.82 CCR4 (0.36) CCR4APPIGF1RHCRTR1HCRTR2
SCHEMBL4521530 0.80 CCR4 (0.36) CCR4PRKCQ
SCHEMBL4521856 0.80 PIN1 (0.40) CCR4APPIGF1RHCRTR1HCRTR2
SCHEMBL4512984 0.78 HSD17B10 (0.49) —

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 AXL 4168/4885CCR4 2557/4885APP 4611/4885

“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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