SCHEMBL2924460

SCHEMBL2924460

O=C(O)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PIK3CD O00329 5/20 0.45
PIK3C2B O00750 4/20 0.45
MTOR P42345 4/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CA P42336 3/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
PIK3CB P42338 3/20 0.42
AKT1 P31749 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL2931128 0.93 RAF1 (0.46) GAARAF1BRAFTP53MAPT
SCHEMBL2933724 0.92 RAF1 (0.45) GAARAF1BRAFAKT1TP53
SCHEMBL2926164 0.90 RAF1 (0.44) GAAMTORRAF1BRAFKCNH2
SCHEMBL2925671 0.89 RAF1 (0.46) GAARAF1BRAFTP53MAPT
SCHEMBL2925740 0.88 RAF1 (0.43) GAAPIK3CDPIK3C2BMTORPIK3CG
SCHEMBL2928320 0.88 RAF1 (0.43) GAARAF1BRAFTP53MAPT
SCHEMBL2926396 0.87 RAF1 (0.44) GAARAF1BRAFAKT1TP53
SCHEMBL2927280 0.86 MAPK1 (0.45) GAARAF1BRAFKCNH2TP53
SCHEMBL2931074 0.85 RAF1 (0.44) GAAPIK3CDPIK3C2BMTORPIK3CG
SCHEMBL2930296 0.84 RAF1 (0.44) RAF1BRAFKCNH2PTGESAKR1C3

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB GAA 1732/4885PIK3CD 59/4885PIK3C2B 84/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GAA 1732/4885PIK3CD 59/4885PIK3C2B 84/4885

“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.