SCHEMBL553090

SCHEMBL553090

Brc1csc(CN2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HRH3 Q9Y5N1 2/20 0.48
CXCR4 P61073 1/20 0.45
HTT P42858 1/20 0.44
BAZ2A Q9UIF9 1/20 0.43
CYP2A13 Q16696 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
DHFR P00374 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12727034 0.84 HRH3 (0.44) SMN1; SMN2HRH3KMT2AALDH1A1MEN1
SCHEMBL17177230 0.83 HRH3 (0.46) SMN1; SMN2HRH3HTTALOX15KMT2A
SCHEMBL10884745 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HRH3CXCR4HTTBAZ2A
SCHEMBL2929353 0.80 KDM4E (0.45) SMN1; SMN2HRH3HTTKMT2AALDH1A1
SCHEMBL12126285 0.80 HRH3 (0.51) SMN1; SMN2HRH3CXCR4HTTBAZ2A
SCHEMBL27870171 0.80 ALDH1A1 (0.45) HRH3CXCR4BAZ2AALOX15KMT2A
SCHEMBL10426668 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HRH3CXCR4HTTBAZ2A
Hydrochloric Acid SCHEMBL906980 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HRH3CXCR4HTTBAZ2A
SCHEMBL30911533 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HRH3CXCR4HTTBAZ2A
SCHEMBL17331423 0.76 HRH3 (0.48) SMN1; SMN2HRH3CXCR4HTTBAZ2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
EP-3157920-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2017-04-26 EP disclosed
US-9527869-B2 Indolizine derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
WO-2015193263-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-23 WO disclosed
US-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (8 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SMN1; SMN2 4366/4885HRH3 568/4885CXCR4 1105/4885
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 SMN1; SMN2 4639/4885HRH3 3367/4885CXCR4 2715/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 SMN1; SMN2 4502/4885HRH3 3894/4885CXCR4 3110/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 SMN1; SMN2 4639/4885HRH3 3367/4885CXCR4 2715/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 SMN1; SMN2 4639/4885HRH3 3367/4885CXCR4 2715/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SMN1; SMN2 4366/4885HRH3 568/4885CXCR4 1105/4885
US-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS PIP4K2B, PIP5K1B, PIP4K2A SMN1; SMN2 4653/4885HRH3 2093/4885CXCR4 2803/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 SMN1; SMN2 4639/4885HRH3 3367/4885CXCR4 2715/4885

“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.