SCHEMBL1655488

SCHEMBL1655488

COc1c(OCCCN2CCOCC2)ccc(C#N)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.48
HRH3 Q9Y5N1 2/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MAP2K1 Q02750 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
IDH1 O75874 1/20 0.41
SRC P12931 2/20 0.41
RAF1 P04049 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL29618260 1.00 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL30303084 0.83 CYP2D6 (0.63) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL27608201 0.83 CYP2D6 (0.63) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL17727606 0.82 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL31620997 0.82 KDM4E (0.58) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL1655562 0.82 CYP2D6 (0.53) CYP2D6CYP1A2KDM4EALDH1A1TSHR
SCHEMBL17652775 0.81 CYP1A2 (0.57) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL31621003 0.81 KDM4E (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL31620995 0.81 KDM4E (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL4044992 0.79 ALDH1A1 (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724847-A 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2023-03-03 CN disclosed
CN-101631464-B 2,3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives for the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-12-06 CN disclosed
CN-108774232-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2022-08-09 CN disclosed
CN-105254634-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives useful in the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-05-27 CN disclosed
US-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US disclosed
US-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US disclosed
US-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US disclosed
EP-2096919-B1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER IP GMBH (DE) 2016-03-02 EP disclosed
US-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
US-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 US disclosed
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 US disclosed
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 US disclosed
EP-2244721-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO Ý1,2-C¨QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-11-03 EP disclosed
EP-2096919-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-09 EP disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 WO disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 WO disclosed
WO-2008070150-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 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 (2 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-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS PIK3CA, PIK3CD, PIK3CB CYP2D6 4689/4885CYP1A2 4057/4885CYP2C19 4364/4885
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis PIK3CA, PIK3CD, PIK3CB CYP2D6 4794/4885CYP1A2 4102/4885CYP2C19 4662/4885

“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.