SCHEMBL2928320

SCHEMBL2928320

NC1CCN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
RBP4 P02753 5/20 0.42
TTR P02766 4/20 0.42
PTGES O14684 2/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
GAA P10253 1/20 0.38
PRKCA P17252 3/20 0.37
GSK3B P49841 3/20 0.37
PRKCQ Q04759 3/20 0.37
FLT3 P36888 2/20 0.37
HTR2B P41595 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIM2 Q9P1W9 1/20 0.36
GRIK1 P39086 1/20 0.36
PTK2 Q05397 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2925740 0.93 RAF1 (0.43) RAF1BRAFRBP4TTRPTGES
SCHEMBL2931128 0.92 RAF1 (0.46) RAF1BRAFRBP4TTRPTGES
SCHEMBL2933724 0.91 RAF1 (0.45) RAF1BRAFRBP4TTRPTGES
SCHEMBL2926164 0.89 RAF1 (0.44) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2924460 0.88 GAA (0.51) RAF1BRAFPTGESAKR1C3GAA
SCHEMBL2925671 0.88 RAF1 (0.46) RAF1BRAFRBP4TTRPTGES
SCHEMBL2926396 0.86 RAF1 (0.44) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2927280 0.85 MAPK1 (0.45) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2930296 0.85 RAF1 (0.44) RAF1BRAFRBP4TTRPTGES
SCHEMBL2931074 0.84 RAF1 (0.44) RAF1BRAFRBP4TTRPTGES

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 351/4885RBP4 4833/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885RBP4 4833/4885

“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.