SCHEMBL2927423

SCHEMBL2927423

COCCNc1cc2[nH]c(Nc3ccccc3C(F)(F)F)nc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
PTGES O14684 10/20 0.46
RXFP1 Q9HBX9 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2925514 0.90 RAF1 (0.47) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2932165 0.84 RAF1 (0.50) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2932514 0.82 RAF1 (0.48) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2931390 0.80 RAF1 (0.49) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2924058 0.79 RAF1 (0.51) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2929849 0.79 RAF1 (0.51) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2931814 0.78 PKM (0.40) RAF1BRAFPKMKDM4E
SCHEMBL2932056 0.78 RAF1 (0.49) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2928418 0.77 RAF1 (0.48) RAF1BRAFPTGESAKR1C3AKR1C2
SCHEMBL2933012 0.76 RAF1 (0.47) RAF1BRAFPTGESAKR1C3AKR1C2

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 351/4885PTGES 4564/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885PTGES 4564/4885

“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.