SCHEMBL4520397

SCHEMBL4520397

COCC(=O)NC1CN(c2nc(Nc3cc(C)n[nH]3)c3cc(OC)c(OC)cc3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT5A Q9NQR1 2/20 0.42
▸ CCR4 P51679 9/20 0.41
▸ EHMT2 Q96KQ7 3/20 0.40
▸ EHMT1 Q9H9B1 3/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ WHR1 P49842 1/20 0.40

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
SCHEMBL4523076 0.83 EHMT2 (0.42) CCR4EHMT2EHMT1
SCHEMBL4526191 0.82 ADRA1D (0.47) KMT5ACCR4EHMT2EHMT1ADRA1D
SCHEMBL4511771 0.78 KMT5A (0.45) KMT5ACCR4ADRA1AADRA1BWHR1
SCHEMBL4525127 0.78 CCR4 (0.41) CCR4EHMT2EHMT1
SCHEMBL4526182 0.77 EGFR (0.41) CCR4ADRA1DADRA1AADRA1BWHR1
SCHEMBL4524546 0.75 WHR1 (0.46) KMT5ACCR4EHMT2WHR1
SCHEMBL4524523 0.75 WHR1 (0.46) KMT5ACCR4EHMT2WHR1
SCHEMBL4520353 0.74 WHR1 (0.44) CCR4EHMT2EHMT1WHR1
SCHEMBL4511912 0.74 WHR1 (0.44) KMT5ACCR4WHR1
SCHEMBL4512965 0.74 AXL (0.35) CCR4

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 6 patents. 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
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 KMT5A 2531/4885CCR4 2557/4885EHMT2 3659/4885

“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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