SCHEMBL4424439

SCHEMBL4424439

C=C(C)OC(=O)Nc1cc(-c2ccccc2F)nn1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA3 P0DMS8 4/20 0.48
MAPT P10636 7/20 0.47
RAB9A P51151 1/20 0.47
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
POLB P06746 2/20 0.45
ADORA1 P30542 4/20 0.43
ADORA2B P29275 1/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL572957 0.72 FLT3 (0.41) MAPTRAB9APOLB
SCHEMBL4419244 0.70 MAPK14 (0.51) MAPT
SCHEMBL26673876 0.70 STIM1 (0.52) MAPTRAB9ASTIM1ORAI1POLB
SCHEMBL4507194 0.69 STIM1 (0.44) ADORA2AADORA3MAPTRAB9ASTIM1
SCHEMBL29405933 0.69 STIM1 (0.46) MAPTRAB9ASTIM1ORAI1
SCHEMBL22658871 0.69 STIM1 (0.46) MAPTRAB9ASTIM1ORAI1
SCHEMBL13738714 0.68 MAPT (0.48) MAPTRAB9APOLBTP53RXFP1
SCHEMBL26766560 0.67 ALDH1A1 (0.42) ADORA3RAB9ASTIM1ORAI1POLB
SCHEMBL1725460 0.67 MPL (0.46) ADORA3RAB9ASTIM1ORAI1POLB
SCHEMBL26674017 0.66 MAPT (0.49) MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 ADORA2A 1693/4885ADORA3 2314/4885MAPT 1608/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 ADORA2A 1693/4885ADORA3 2314/4885MAPT 1608/4885

“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.