SCHEMBL2331346

SCHEMBL2331346

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(Cl)ncc2Br)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.48
PIK3CD O00329 2/20 0.48
USP30 Q70CQ3 6/20 0.48
BTK Q06187 1/20 0.47
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 1/20 0.44
PIK3CA P42336 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL2331342 1.00 IGF1R (0.48) IGF1RPIK3CDUSP30BTKALDH1A1
SCHEMBL31664319 1.00 IGF1R (0.48) IGF1RPIK3CDUSP30BTKALDH1A1
SCHEMBL6523004 0.94 IGF1R (0.45) IGF1RPIK3CDUSP30BTKCNR1
SCHEMBL20155254 0.94 IGF1R (0.45) IGF1RPIK3CDUSP30BTKCNR1
SCHEMBL6523000 0.94 IGF1R (0.45) IGF1RPIK3CDUSP30BTKCNR1
SCHEMBL20154906 0.94 ALDH1A1 (0.51) USP30BTKALDH1A1NPC1MAPT
SCHEMBL4001705 0.88 KMT2A (0.49) PIK3CDUSP30BTKALDH1A1NPC1
SCHEMBL18001112 0.88 BTK (0.49) PIK3CDUSP30BTKALDH1A1NPC1
SCHEMBL2127361 0.88 KMT2A (0.49) PIK3CDUSP30BTKALDH1A1NPC1
SCHEMBL10007451 0.88 KMT2A (0.49) PIK3CDUSP30BTKALDH1A1NPC1

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 IGF1R 897/4885PIK3CD 515/4885USP30 2421/4885

“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.