SCHEMBL2931481

SCHEMBL2931481

CN1CCN(c2cc3[nH]c(NCC4CCCCC4)nc3cc2C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.43
HTR3A P46098 1/20 0.43
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
PARP14 Q460N5 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
PRSS12 P56730 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PTGES O14684 1/20 0.35
GAA P10253 1/20 0.35
HTR6 P50406 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 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
SCHEMBL2929163 0.84 RIPK1 (0.43) HRH4
SCHEMBL2932436 0.83 MAP4K1 (0.36) HRH4HTR3AEGLN1PTGES
SCHEMBL2931308 0.79 KDM4E (0.39) HRH4KDM4E
SCHEMBL2931206 0.78 KCNH2 (0.35) HRH4PTGES
SCHEMBL2932002 0.77 HRH4 (0.45) HRH4
SCHEMBL2923944 0.77 KCNH2 (0.35) HRH4PTGES
SCHEMBL2924925 0.76 HRH4 (0.37) HRH4KDM4E
SCHEMBL2934338 0.75 HRH4 (0.39) HRH4EGLN1PTGES
SCHEMBL2927890 0.75 KCNH2 (0.35) HRH4PTGES
SCHEMBL2932432 0.75 KDM5B (0.33) HRH4PRSS12HTR6CLK2CLK3

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 HRH4 2428/4885HTR3A 2404/4885ASPH 1711/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885HTR3A 2404/4885ASPH 1711/4885

“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.