SCHEMBL4419087

SCHEMBL4419087

Cc1ccc(-n2nc(C(F)(F)F)cc2N)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 7/20 0.40
PTGS1 P23219 4/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
PDPK1 O15530 2/20 0.40
PTGES O14684 1/20 0.40
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
PDE5A O76074 1/20 0.40

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
SCHEMBL368862 0.87 KDM4E (0.44) KDM4EL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL29396841 0.87 KDM4E (0.44) KDM4EL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL1013244 0.81 CYP2C9 (0.57) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL14353418 0.81 CYP1A2 (0.61) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL13014987 0.78 PTGS2 (0.49) KDM4EL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL14226059 0.77 STIM1 (0.54) STIM1ORAI1KDM4EL3MBTL1ALDH1A1
SCHEMBL1013645 0.76 PTGS2 (0.55) MEN1KMT2APTGS2PTGS1LMNA
SCHEMBL13528626 0.76 KCNJ6 (0.37) KDM4EMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL1013431 0.75 ALDH1A1 (0.65) KDM4EL3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL2461984 0.75 PTGS2 (0.68) KDM4ECYP1A2CYP2C19PTGS2PTGS1

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 6 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
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN 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 STIM1 3959/4885ORAI1 4710/4885KDM4E 2009/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 STIM1 3959/4885ORAI1 4710/4885KDM4E 2009/4885

“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.