SCHEMBL2931044

SCHEMBL2931044

CN1CCN(c2cc3[nH]c(Nc4nccn4Cc4ccccc4)nc3cc2C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TYMS P04818 1/20 0.38
ALK Q9UM73 1/20 0.37
FDPS P14324 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NOD2 Q9HC29 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
KCNH2 Q12809 2/20 0.36
MAP4K1 Q92918 1/20 0.36
CSF1R P07333 1/20 0.36
HTR6 P50406 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 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
SCHEMBL2925852 0.89 DRD3 (0.37) PAK1HRH4KDM4EALDH1A1GAA
SCHEMBL2931207 0.86 KCNH2 (0.35) PAK1HRH4KDM4EALDH1A1KCNH2
SCHEMBL2924534 0.86 KCNH2 (0.35) PAK1HRH4KDM4EALDH1A1KCNH2
SCHEMBL2926127 0.86 KCNH2 (0.35) PAK1HRH4KDM4EUSP2ALDH1A1
SCHEMBL13086052 0.85 MET (0.44) USP2
SCHEMBL2931516 0.85 KCNH2 (0.39) PAK1HRH4KDM4EUSP2ALDH1A1
SCHEMBL2932436 0.84 MAP4K1 (0.36) HRH4KCNH2MAP4K1
SCHEMBL2932279 0.83 KCNH2 (0.37) PAK1HRH4KCNH2
SCHEMBL2935297 0.81 KCNH2 (0.35) PAK1OPRK1HRH4KCNH2
SCHEMBL2923944 0.80 KCNH2 (0.35) OPRK1HRH4KCNH2MAP4K1CSF1R

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 PAK1 404/4885OPRD1 4867/4885OPRK1 4257/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PAK1 404/4885OPRD1 4867/4885OPRK1 4257/4885

“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.