SCHEMBL2925514

SCHEMBL2925514

CCCNc1cc2[nH]c(Nc3ccccc3C(F)(F)F)nc2cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
TAS2R14 Q9NYV8 3/20 0.39
GRIK1 P39086 1/20 0.39
AR P10275 1/20 0.38
DDX3X O00571 1/20 0.38
PTGES O14684 3/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
RIPK1 Q13546 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2927423 0.90 RAF1 (0.49) RAF1BRAFAKR1C3AKR1C2PTGES
SCHEMBL2928418 0.83 RAF1 (0.48) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2929849 0.83 RAF1 (0.51) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL13085993 0.82 HPGD (0.46) RAF1BRAFPTGESKDM4ERAB9A
SCHEMBL2932056 0.82 RAF1 (0.49) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2931390 0.82 RAF1 (0.49) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2933012 0.81 RAF1 (0.47) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2924058 0.81 RAF1 (0.51) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2931128 0.78 RAF1 (0.46) RAF1BRAFAKR1C3AKR1C2GRIK1
SCHEMBL2925850 0.77 RAF1 (0.44) RAF1BRAFAKR1C3AKR1C2TAS2R14

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 351/4885AKR1C3 944/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885AKR1C3 944/4885

“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.