SCHEMBL2931390

SCHEMBL2931390

O=C(O)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
GRIK1 P39086 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CLCN2 P51788 1/20 0.43
PTGES O14684 4/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
DDX3X O00571 1/20 0.42
TAS2R14 Q9NYV8 3/20 0.40
PRSS12 P56730 1/20 0.40
POLB P06746 1/20 0.40
FABP4 P15090 1/20 0.40
PTGS2 P35354 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL2924058 0.84 RAF1 (0.51) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2931128 0.83 RAF1 (0.46) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2929849 0.82 RAF1 (0.51) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2933724 0.82 RAF1 (0.45) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2925514 0.82 RAF1 (0.47) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2932056 0.81 RAF1 (0.49) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2927124 0.81 SMN1; SMN2 (0.56) RAF1BRAFAKR1C3AKR1C2POLB
SCHEMBL1964565 0.81 AKR1C3 (0.51) RAF1BRAFAKR1C3AKR1C2DDX3X
SCHEMBL2928418 0.80 RAF1 (0.48) RAF1BRAFGRIK1AKR1C3AKR1C2
SCHEMBL2926164 0.80 RAF1 (0.44) RAF1BRAFGRIK1AKR1C3AKR1C2

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 RAF1 427/4885BRAF 351/4885GRIK1 1816/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885GRIK1 1816/4885

“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.