SCHEMBL2933174

SCHEMBL2933174

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)Nc2ccc3ncsc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAT2A P31153 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PDE7A Q13946 6/20 0.37
IRAK4 Q9NWZ3 11/20 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
SCHEMBL2927581 0.95 GOT1 (0.38) KEAP1NFE2L2PDE7A
SCHEMBL13315775 0.86 EGFR (0.38) PDE7A
SCHEMBL2930046 0.86 PDE7A (0.43) PDE7AIRAK4
SCHEMBL13086257 0.86 ROCK2 (0.41) MAT2A
SCHEMBL2933728 0.84 LMNA (0.39) PDE7A
SCHEMBL14452332 0.84 IKBKB (0.41) KEAP1NFE2L2MAT2AIKBKBCHUK
SCHEMBL2927584 0.83 ALDH1A1 (0.44)
SCHEMBL2923944 0.82 KCNH2 (0.35) PDE7A
SCHEMBL2931206 0.82 KCNH2 (0.35) PDE7A
SCHEMBL2927890 0.81 KCNH2 (0.35)

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 KEAP1 1370/4885NFE2L2 4655/4885MAT2A 1802/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KEAP1 1370/4885NFE2L2 4655/4885MAT2A 1802/4885

“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.