SCHEMBL4511771

SCHEMBL4511771

COCC(=O)N1CCC2(CC1)CN(c1nc(Nc3cc(C)n[nH]3)c3cc(OC)c(OC)cc3n1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT5A Q9NQR1 1/20 0.45
▸ WHR1 P49842 2/20 0.44
▸ CYP2D6 P10635 3/20 0.42
▸ CCR4 P51679 7/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SOS1 Q07889 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
SCHEMBL4524523 0.91 WHR1 (0.46) KMT5AWHR1CCR4
SCHEMBL4524546 0.91 WHR1 (0.46) KMT5AWHR1CCR4CYP2C19HSD17B10
SCHEMBL4511912 0.90 WHR1 (0.44) KMT5AWHR1CCR4
SCHEMBL4529415 0.89 WHR1 (0.46) KMT5AWHR1CCR4
SCHEMBL4520353 0.88 WHR1 (0.44) WHR1CCR4
SCHEMBL4526326 0.86 CCR4 (0.44) KMT5AWHR1CCR4
SCHEMBL4521403 0.85 WHR1 (0.43) KMT5AWHR1CCR4HSD17B10ALDH1A1
SCHEMBL4512984 0.83 HSD17B10 (0.49) CYP2D6CYP2C19HSD17B10ALDH1A1HPGD
SCHEMBL4520397 0.78 KMT5A (0.42) KMT5AWHR1CCR4ADRA1AADRA1B
SCHEMBL4526191 0.74 ADRA1D (0.47) KMT5ACCR4ADRA1AADRA1BALDH1A1

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 2531/4885WHR1 575/4885CYP2D6 71/4885

“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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