SCHEMBL4174426

SCHEMBL4174426

N#CC(C=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KCNN4 O15554 2/20 0.40
KCNA5 P22460 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Hydrochloric Acid SCHEMBL4336665 0.98 CYP19A1 (0.46) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4185103 0.77 SLC6A2 (0.35) CYP19A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL544445 0.77 TSHR (0.46) SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL9489967 0.77 TSHR (0.46) SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL140368 0.75 CFTR (0.52) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7021489 0.75 CYP19A1 (0.55) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6352964 0.72 CYP19A1 (0.39) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9188938 0.72 CCR1 (0.42) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2493545 0.72 CFTR (0.58) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL23539519 0.72 CFTR (0.48) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739375-B Preparation and application of novel quinolizine pH fluorescent molecular probe 四川大学 2020-09-22 CN disclosed
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
CN-1871240-B Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LTD 2012-11-07 CN disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
CN-101394853-A Use of pyrazolo [1, 5-a ] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders NOVARTIS AG (CH) 2009-03-25 CN disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN disclosed
CN-1871240-A Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LTD (JP) 2006-11-29 CN disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 WO disclosed
WO-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO disclosed
US-4228097-A Method of preparing α-hydroxymethylene nitriles DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-10-14 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 (4 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 CYP19A1 3274/4885CFTR 1757/4885SLC6A2 1099/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 CYP19A1 1345/4885CFTR 1450/4885SLC6A2 2991/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 CYP19A1 1345/4885CFTR 1450/4885SLC6A2 2991/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP CYP19A1 810/4885CFTR 4778/4885SLC6A2 3222/4885

“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.