SCHEMBL4171697

SCHEMBL4171697

COC(C#N)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5479093 0.80 AOC3 (0.45) ALDH1A1MAPK1SOS1L3MBTL1
SCHEMBL29066017 0.79 AOC3 (0.46) ALDH1A1L3MBTL1
SCHEMBL3924092 0.79 AOC3 (0.46) ALDH1A1SLC6A2SLC6A4L3MBTL1
SCHEMBL12742279 0.79 ESR1 (0.53) ALDH1A1KDM4E
SCHEMBL4166227 0.77 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL195228 0.77 IDO1 (0.37) IDO1TDO2SLC6A2SLC6A4
SCHEMBL198465 0.77 TSHR (0.46) ALDH1A1TRPA1
SCHEMBL27625768 0.77 TSHR (0.46) ALDH1A1TRPA1
SCHEMBL198464 0.77 TSHR (0.46) ALDH1A1TRPA1
SCHEMBL195452 0.76 IDO1 (0.36) IDO1TDO2ALDH1A1TRPA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 IDO1 1293/4885TDO2 3072/4885ALDH1A1 578/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 IDO1 1701/4885TDO2 1568/4885ALDH1A1 1515/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 IDO1 1701/4885TDO2 1568/4885ALDH1A1 1515/4885

“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.