SCHEMBL2930296

SCHEMBL2930296

CC1CN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)O)CC(C)N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
KCNH2 Q12809 2/20 0.42
RBP4 P02753 6/20 0.41
TTR P02766 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LPAR2 Q9HBW0 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
GRIK1 P39086 1/20 0.36
PTGES O14684 1/20 0.36
DDX3X O00571 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
SCHEMBL2931074 0.90 RAF1 (0.44) RAF1BRAFKCNH2RBP4TTR
SCHEMBL2931128 0.87 RAF1 (0.46) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2933724 0.86 RAF1 (0.45) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2925671 0.86 RAF1 (0.46) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2925740 0.85 RAF1 (0.43) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2928320 0.85 RAF1 (0.43) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL2926164 0.85 RAF1 (0.44) RAF1BRAFKCNH2RBP4TTR
SCHEMBL2924460 0.84 GAA (0.51) RAF1BRAFKCNH2AKR1C3PTGES
SCHEMBL2926396 0.83 RAF1 (0.44) RAF1BRAFRBP4TTRAKR1C3
SCHEMBL5135117 0.83 HPGD (0.43) RAF1BRAFKCNH2PTGES

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 351/4885KCNH2 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.