SCHEMBL12390464

SCHEMBL12390464

COc1cc2nc(Cl)nc(N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 3/20 0.70
▸ EHMT2 Q96KQ7 11/20 0.63
▸ KDM1A O60341 1/20 0.63
▸ RCOR1 Q9UKL0 1/20 0.63
▸ DNMT3A Q9Y6K1 1/20 0.62
▸ PIK3CD O00329 2/20 0.53
▸ KMT5A Q9NQR1 1/20 0.48
▸ PIK3CA P42336 1/20 0.47
▸ WHR1 P49842 1/20 0.47
▸ EHMT1 Q9H9B1 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ EPHB4 P54760 1/20 0.46

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
SCHEMBL29613418 0.95 NSD2 (0.76) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL1748471 0.95 NSD2 (0.76) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL2334216 0.87 EHMT2 (0.68) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL2331523 0.83 BTK (0.52) NSD2DNMT3APIK3CDALDH1A1
SCHEMBL2331519 0.83 BTK (0.52) NSD2DNMT3APIK3CDALDH1A1
SCHEMBL1428017 0.83 EHMT2 (0.74) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL15280234 0.83 EHMT2 (0.74) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL20621265 0.82 KMT5A (0.62) NSD2EHMT2KMT5AWHR1EHMT1
SCHEMBL29453059 0.82 KMT5A (0.62) NSD2EHMT2KMT5AWHR1EHMT1
SCHEMBL27223024 0.81 NSD2 (0.70) NSD2EHMT2KDM1ARCOR1DNMT3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 — — US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 — — US disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 — — 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 NSD2 2599/4885EHMT2 1320/4885KDM1A 1185/4885

“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