SCHEMBL2492831

SCHEMBL2492831

Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.70
CSF1R P07333 3/20 0.65
CYP2C9 P11712 2/20 0.65
BRAF P15056 2/20 0.65
JAK2 O60674 1/20 0.65
PDGFRB P09619 1/20 0.65
FGFR1 P11362 1/20 0.65
EPHB4 P54760 1/20 0.65
PTK2 Q05397 1/20 0.65
MAPK14 Q16539 1/20 0.65
MAPT P10636 1/20 0.64
KCNK3 O14649 2/20 0.64
P2RX1 P51575 1/20 0.63
LMNA P02545 1/20 0.63
KCNQ3 O43525 2/20 0.62
KCNQ2 O43526 2/20 0.62
KCNE1 P15382 2/20 0.62
KCNQ1 P51787 2/20 0.62
KCNQ5 Q9NR82 1/20 0.62
MEN1 O00255 1/20 0.61

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
SCHEMBL4697489 0.90 MAPT (0.68) PTGS1CSF1RCYP2C9BRAFJAK2
SCHEMBL17103625 0.86 PTGS1 (0.71) PTGS1CSF1RMAPK14MAPTKCNK3
SCHEMBL14468045 0.85 MEN1 (0.68) PTGS1CSF1RCYP2C9BRAFMAPK14
SCHEMBL374471 0.85 PTGS1 (0.70) PTGS1CSF1RCYP2C9BRAFMAPK14
SCHEMBL31650037 0.84 KDR (0.66) PTGS1MAPTLMNAMEN1HTT
SCHEMBL2497820 0.84 CSF1R (0.70) PTGS1CSF1RCYP2C9BRAFJAK2
Hydrochloric Acid SCHEMBL5004557 0.84 PTGS1 (0.68) PTGS1CSF1RCYP2C9BRAFMAPK14
SCHEMBL5504593 0.83 MAPT (0.66) PTGS1CSF1RCYP2C9BRAFJAK2
SCHEMBL2495506 0.82 MAPT (0.61) PTGS1CSF1RCYP2C9BRAFJAK2
SCHEMBL2495539 0.82 MAPT (0.61) PTGS1CSF1RCYP2C9BRAFJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 PTGS1 1316/4885CSF1R 818/4885CYP2C9 1246/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 PTGS1 2192/4885CSF1R 575/4885CYP2C9 2280/4885

“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.