SCHEMBL3086176

SCHEMBL3086176

COc1ccc(NC(=O)c2ccc(C)c(C(N)=O)c2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 1/20 0.53
BRAF P15056 9/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
RPS6KB1 P23443 2/20 0.51
AURKA O14965 1/20 0.51
PDPK1 O15530 1/20 0.51
AURKB Q96GD4 1/20 0.51
MKNK2 Q9HBH9 1/20 0.49
RAF1 P04049 1/20 0.49

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
SCHEMBL3300395 0.96 MAPT (0.55) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL3085908 0.86 MAPT (0.57) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL3300398 0.84 MAPT (0.54) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL2951095 0.84 KIT (0.71) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL2946622 0.81 BTK (0.67) CYP2C9BRAFEIF2AK3EIF2AK4
SCHEMBL3302139 0.81 KCNQ3 (0.55) MAPTMEN1HTTKMT2ATP53
SCHEMBL10092719 0.81 MAPT (0.59) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL17664661 0.80 MAPT (0.61) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL4251497 0.80 BRAF (0.68) MAPTCYP2C9BRAFLMNAGAA
SCHEMBL5494349 0.78 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795273-B2 Pyrazolo[1,5-a]pyridine-3-carboxylic acids as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US claimed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US claimed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP claimed
US-20080300245-A1 Pyrazolo[1,5-A]Pyridine-3-Carboxylic Acids as Ephb and Vegfr2 Kinase Inhibitors IMBACH PATRICIA 2008-12-04 US claimed
EP-1963316-A2 PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACIDS AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 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-2007065664-A2 PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACIDS AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO claimed
US-7795273-B2 Pyrazolo[1,5-a]pyridine-3-carboxylic acids as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US disclosed
US-20080300245-A1 Pyrazolo[1,5-A]Pyridine-3-Carboxylic Acids as Ephb and Vegfr2 Kinase Inhibitors IMBACH PATRICIA 2008-12-04 US 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-20080300245-A1 Pyrazolo[1,5-A]Pyridine-3-Carboxylic Acids as Ephb and Vegfr2 Kinase Inhibitors EPHB2, EPHB1, EPHB3 MAPT 1687/4885MEN1 3755/4885HTT 4803/4885
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases MAP4K2, MAP4K3, MAP4K1 MAPT 1799/4885MEN1 3441/4885HTT 4606/4885

“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.