SCHEMBL2927280

SCHEMBL2927280

O=C(O)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCN(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.39
HTR2A P28223 2/20 0.38
RBP4 P02753 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
TTR P02766 1/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2925671 0.90 RAF1 (0.46) RAF1BRAFGAAMAPTRBP4
SCHEMBL2931128 0.89 RAF1 (0.46) RAF1BRAFGAAMAPTRBP4
SCHEMBL2933724 0.89 RAF1 (0.45) RAF1BRAFGAAMAPTRBP4
SCHEMBL2926164 0.87 RAF1 (0.44) RAF1BRAFGAARBP4OPRL1
SCHEMBL2924460 0.86 GAA (0.51) MAPK1RAF1BRAFGAAMAPT
SCHEMBL2926396 0.85 RAF1 (0.44) RAF1BRAFGAAMAPTRBP4
SCHEMBL2925740 0.85 RAF1 (0.43) RAF1BRAFGAAMAPTRBP4
SCHEMBL2928320 0.85 RAF1 (0.43) RAF1BRAFGAAMAPTRBP4
SCHEMBL13086064 0.84 TRPV1 (0.45) MAPK1RAF1BRAF
SCHEMBL2925374 0.83 RAF1 (0.42) RAF1BRAFGAAMAPTRBP4

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 MAPK1 1145/4885RAF1 427/4885BRAF 351/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPK1 1145/4885RAF1 427/4885BRAF 351/4885

“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.