SCHEMBL2932436

SCHEMBL2932436

CN1CCN(c2cc3[nH]c(Nc4nccn4CC4CCCCC4)nc3cc2C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.36
TBK1 Q9UHD2 7/20 0.34
PTGES O14684 2/20 0.34
KCNH2 Q12809 3/20 0.33
CNR1 P21554 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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 0.87 DRD3 (0.37) PTGESKCNH2HRH4
SCHEMBL2931206 0.86 KCNH2 (0.35) MAP4K1PTGESKCNH2HRH4
SCHEMBL2924534 0.85 KCNH2 (0.35) TBK1PTGESKCNH2EGLN1HRH4
SCHEMBL2931207 0.85 KCNH2 (0.35) PTGESKCNH2HRH4
SCHEMBL2923944 0.85 KCNH2 (0.35) MAP4K1TBK1PTGESKCNH2HRH4
SCHEMBL2926127 0.84 KCNH2 (0.35) TBK1PTGESKCNH2HRH4
SCHEMBL2931044 0.84 PAK1 (0.39) MAP4K1KCNH2HRH4
SCHEMBL2931516 0.84 KCNH2 (0.39) PTGESKCNH2EGLN1HRH4
SCHEMBL2927890 0.83 KCNH2 (0.35) TBK1PTGESKCNH2HRH4
SCHEMBL2931481 0.83 HRH4 (0.43) PTGESEGLN1HTR3AHRH4

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 MAP4K1 401/4885TBK1 349/4885PTGES 4564/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAP4K1 401/4885TBK1 349/4885PTGES 4564/4885

“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.