SCHEMBL3299352

SCHEMBL3299352

Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TEK Q02763 1/20 0.50
GRM4 Q14833 1/20 0.48
XBP1 P17861 1/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL17413359 0.88 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL4251502 0.86 BRAF (0.61) MAPTNPSR1HTTMEN1KMT2A
SCHEMBL2679303 0.86 MAPT (0.55) MAPTNPSR1HTTMEN1KMT2A
SCHEMBL3302139 0.85 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3300398 0.84 MAPT (0.54) MAPTNPSR1HTTMEN1KMT2A
SCHEMBL12518236 0.84 KIT (0.51) MAPTNPSR1HTTMEN1KMT2A
SCHEMBL22025295 0.83 PTGS1 (0.64) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL5498213 0.82 KIT (0.61) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL19070454 0.82 MAPT (0.59) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL19500724 0.82 KIT (0.58) KCNQ3KCNQ2KCNE1KCNQ1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US claimed
EP-2079745-A1 3-AMINOCARBONYI-SUBSTITUTED FUSED PYRAZOLO-DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2009-07-22 EP claimed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP claimed
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO claimed
WO-2008052964-A1 3-AMINOCARBONYI-SUBSTITUTED FUSED PYRAZOLO-DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2008-05-08 WO claimed
EP-1918291-A1 3-Aminocarbonyl-substituted fused pyrazolo-derivatives as protein kinase modulators Novartis AG (CH) 2008-05-07 EP claimed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US disclosed
US-20100069395-A1 Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid compounds as protein kinase inhibitors IMBACH PATRICIA 2010-03-18 US disclosed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP disclosed
EP-2079745-A1 3-AMINOCARBONYI-SUBSTITUTED FUSED PYRAZOLO-DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2009-07-22 EP 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
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO disclosed
WO-2008052964-A1 3-AMINOCARBONYI-SUBSTITUTED FUSED PYRAZOLO-DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2008-05-08 WO disclosed
EP-1918291-A1 3-Aminocarbonyl-substituted fused pyrazolo-derivatives as protein kinase modulators Novartis AG (CH) 2008-05-07 EP 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 (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-20100069395-A1 Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid compounds as protein kinase inhibitors PRKCA, PRKACA, MAP3K19 KCNQ3 2427/4885KCNQ2 2396/4885KCNE1 2010/4885
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 KCNQ3 2226/4885KCNQ2 2585/4885KCNE1 2352/4885
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases MAP4K2, MAP4K3, MAP4K1 KCNQ3 1140/4885KCNQ2 1229/4885KCNE1 1239/4885

“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.