SCHEMBL2927581

SCHEMBL2927581

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)Nc2ccc3scnc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.38
PDE7A Q13946 6/20 0.37
RPS6KA2 Q15349 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
RIPK2 O43353 2/20 0.34
CHRM5 P08912 5/20 0.34
HSD11B1 P28845 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL2933174 0.95 KEAP1 (0.39) PDE7AKEAP1NFE2L2
SCHEMBL13315775 0.86 EGFR (0.38) PDE7A
SCHEMBL13086257 0.86 ROCK2 (0.41) TRPV1
SCHEMBL2930046 0.85 PDE7A (0.43) PDE7A
SCHEMBL2933728 0.84 LMNA (0.39) PDE7ATRPV1
SCHEMBL2927584 0.83 ALDH1A1 (0.44)
SCHEMBL2923944 0.82 KCNH2 (0.35) PDE7ARPS6KA2
SCHEMBL2931206 0.82 KCNH2 (0.35) PDE7ARPS6KA2
SCHEMBL2927890 0.81 KCNH2 (0.35) RPS6KA2
SCHEMBL13086216 0.80 TRPV1 (0.39) TRPV1

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 GOT1 2806/4885PDE7A 1516/4885RPS6KA2 1682/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GOT1 2806/4885PDE7A 1516/4885RPS6KA2 1682/4885

“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.