SCHEMBL2931074

SCHEMBL2931074

CC1CN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)O)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
RBP4 P02753 5/20 0.41
TTR P02766 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36
GAA P10253 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL2930296 0.90 RAF1 (0.44) RAF1BRAFKCNH2RBP4TTR
SCHEMBL2931128 0.86 RAF1 (0.46) RAF1BRAFKDM4ELMNARBP4
SCHEMBL2933724 0.86 RAF1 (0.45) RAF1BRAFKDM4ELMNARBP4
SCHEMBL2924460 0.85 GAA (0.51) RAF1BRAFKCNH2KDM4EAKR1C3
SCHEMBL2925671 0.85 RAF1 (0.46) RAF1BRAFSCN9ALMNARBP4
SCHEMBL2925740 0.84 RAF1 (0.43) RAF1BRAFLMNARBP4TTR
SCHEMBL2928320 0.84 RAF1 (0.43) RAF1BRAFLMNARBP4TTR
SCHEMBL2926164 0.84 RAF1 (0.44) RAF1BRAFKCNH2SCN9AKDM4E
SCHEMBL2926396 0.83 RAF1 (0.44) RAF1BRAFLMNARBP4TTR
SCHEMBL2927280 0.80 MAPK1 (0.45) RAF1BRAFKCNH2RBP4TTR

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885KCNH2 1911/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885KCNH2 1911/4885

“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.