SCHEMBL2928243

SCHEMBL2928243

CC(C)(C)OC(=O)N1CCN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)Nc2ccc3ncsc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NAMPT P43490 1/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTGES O14684 3/20 0.39
DYRK2 Q92630 2/20 0.39
TBK1 Q9UHD2 6/20 0.38
TRPV1 Q8NER1 1/20 0.38
BACE1 P56817 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
SCHEMBL2931545 0.91 TRPV1 (0.40) RAF1BRAFPTGESTRPV1
SCHEMBL2931862 0.91 RAF1 (0.42) KEAP1NFE2L2RAF1BRAFPTGES
SCHEMBL2926234 0.89 IRAK4 (0.41) NAMPTRAF1BRAFTRPV1
Hydrochloric Acid SCHEMBL2932299 0.88 IRAK4 (0.41) NAMPTRAF1BRAFTRPV1
SCHEMBL2929864 0.85 TRPV1 (0.47) NAMPTRAF1BRAFRXFP1PTPN11
SCHEMBL2931578 0.85 PTGES (0.41) RAF1BRAFPTGESTRPV1
SCHEMBL2926035 0.85 KEAP1 (0.44) KEAP1NFE2L2NAMPTPTPN11DYRK2
SCHEMBL2931452 0.80 PTGES (0.39) NAMPTRAF1BRAFRXFP1PTPN11
SCHEMBL2930752 0.79 KDR (0.45) RAF1BRAFPTGES
SCHEMBL2930134 0.77 RAB9A (0.52) NAMPTRAF1BRAFRXFP1

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 10 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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 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 KEAP1 1370/4885NFE2L2 4655/4885NAMPT 1387/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KEAP1 1370/4885NFE2L2 4655/4885NAMPT 1387/4885

“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.