SCHEMBL2331523

SCHEMBL2331523

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(Cl)nc3ccccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.52
USP30 Q70CQ3 3/20 0.51
BRD4 O60885 1/20 0.49
PIK3CD O00329 1/20 0.49
NSD2 O96028 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 3/20 0.47
CNR2 P34972 1/20 0.47
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DNMT3A Q9Y6K1 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
SCHEMBL2331519 1.00 BTK (0.52) BTKUSP30BRD4PIK3CDNSD2
SCHEMBL9911789 0.95 NSD2 (0.53) BTKUSP30BRD4NSD2ALDH1A1
SCHEMBL26911521 0.92 GBA1 (0.46) BTKUSP30NSD2CNR1CNR2
SCHEMBL9911806 0.91 NSD2 (0.50) BTKUSP30BRD4NSD2ALDH1A1
SCHEMBL16908187 0.87 PIK3CD (0.49) BTKUSP30BRD4PIK3CDNSD2
SCHEMBL22620999 0.87 PIK3CD (0.49) BTKUSP30BRD4PIK3CDNSD2
SCHEMBL23958291 0.85 USP30 (0.56) BTKUSP30BRD4PIK3CDALDH1A1
SCHEMBL2331315 0.85 CHEK2 (0.47) BTKNSD2MAPTMAPK1HTT
SCHEMBL12390396 0.84 CYP1A2 (0.60) BTKUSP30BRD4PIK3CDALDH1A1
SCHEMBL30639820 0.84 BTK (0.54) BTKUSP30BRD4PIK3CDNSD2

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 9 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-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO 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 BTK 688/4885USP30 2421/4885BRD4 679/4885

“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.