SCHEMBL82892

SCHEMBL82892

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
VCAM1 P19320 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TPMT P51580 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL12362308 0.83 GPR35 (0.47) GPR35MAPTKDM4ESMN1; SMN2VCAM1
SCHEMBL18189273 0.83 GPR35 (0.47) GPR35MAPTKDM4EMEN1KMT2A
SCHEMBL12584687 0.77 ALDH1A1 (0.47) MAPTKDM4EMEN1HPGDCASP3
SCHEMBL11265430 0.77 GPR35 (0.50) GPR35MAPTKDM4EMEN1HPGD
SCHEMBL15689571 0.76 GPR35 (0.44) GPR35MAPTSMN1; SMN2VCAM1PKM
SCHEMBL523663 0.76 AR (0.42) KDM4EMEN1KMT2APOLBTDP1
SCHEMBL81383 0.76 GPR35 (0.42) GPR35MAPTKDM4EMEN1KMT2A
SCHEMBL17090846 0.76 TRPV1 (0.46) GPR35MAPTKDM4EMEN1HPGD
SCHEMBL17090848 0.76 TRPV1 (0.46) GPR35MAPTKDM4EMEN1HPGD
SCHEMBL31029775 0.74 PKM (0.60) MAPTKDM4EMEN1HPGDCASP3

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 49 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-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-11 US disclosed
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-01-14 US disclosed
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-04-28 US disclosed
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-01-30 US disclosed
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-07-09 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-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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
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
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 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 (6 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-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 GPR35 4126/4885MAPT 4866/4885KDM4E 3064/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG GPR35 717/4885MAPT 1939/4885KDM4E 3870/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 GPR35 4323/4885MAPT 4877/4885KDM4E 3240/4885
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 GPR35 4126/4885MAPT 4866/4885KDM4E 3064/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 GPR35 4323/4885MAPT 4877/4885KDM4E 3240/4885
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 GPR35 4126/4885MAPT 4866/4885KDM4E 3064/4885

“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.