SCHEMBL4124442

SCHEMBL4124442

Cc1cccc(OCCCN2CCOCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
ALDH1A1 P00352 4/20 0.69
HTT P42858 1/20 0.69
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR2A P28223 1/20 0.62
SCN1A P35498 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN2A Q99250 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SCN3A Q9NY46 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL14692962 0.94 ALDH1A1 (0.76) KDM4EL3MBTL1ALDH1A1HTTTSHR
SCHEMBL259183 0.93 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1HTTTSHR
SCHEMBL29508184 0.86 ALDH1A1 (0.81) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL29508224 0.86 ALDH1A1 (0.78) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL11983507 0.85 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1TSHRHRH3
SCHEMBL11983510 0.85 KDM4E (0.78) KDM4EL3MBTL1ALDH1A1HTTTSHR
SCHEMBL13185215 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL14494721 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL21636718 0.83 KDM4E (0.65) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL2230279 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HTTTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020011243-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-16 WO disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 US disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US 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 (5 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885L3MBTL1 3899/4885ALDH1A1 684/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 KDM4E 2344/4885L3MBTL1 1326/4885ALDH1A1 208/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885L3MBTL1 3899/4885ALDH1A1 684/4885
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 KDM4E 1695/4885L3MBTL1 1107/4885ALDH1A1 631/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885L3MBTL1 3899/4885ALDH1A1 684/4885

“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.