SCHEMBL3559632

SCHEMBL3559632

Nc1nnc(-c2ccccc2F)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAOA P21397 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
SCN4A P35499 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
PDE3A Q14432 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN9A Q15858 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
SCN10A Q9Y5Y9 1/20 0.56
ADORA2A P29274 6/20 0.52
ADORA1 P30542 5/20 0.52
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL4012175 0.86 CYP2D6 (0.57) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL4015954 0.83 SCN9A (0.71) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL2658429 0.82 ADORA2A (0.47) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL31018101 0.80 ADORA2A (0.54) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL17667894 0.80 ADORA2A (0.54) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL20569929 0.78 ADORA2A (0.55) ADORA2AADORA1ALDH1A1KDM4EDPP4
SCHEMBL743366 0.78 CSNK1A1 (0.56) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL977030 0.78 CSNK1A1 (0.56) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL975830 0.78 CSNK1A1 (0.72) CSNK1A1CLK4CYP2D6MAOAMAPK1
SCHEMBL2324859 0.78 CSNK1A1 (0.56) CSNK1A1CLK4CYP2D6MAOAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700601-B2 Substituted indazoles of formula 1.0 that are kinase inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
EP-1871765-B1 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2009-12-09 EP disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
EP-2001870-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-17 EP disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
EP-1871765-A2 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-01-02 EP disclosed
WO-2007126964-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2007-11-08 WO disclosed
WO-2006081230-A2 3-(INDAZOL-5-YL)-(1,2, 4) TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2006-08-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 CSNK1A1 103/4885CLK4 531/4885CYP2D6 3665/4885
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 CSNK1A1 126/4885CLK4 664/4885CYP2D6 1987/4885

“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.