SCHEMBL2932432

SCHEMBL2932432

CN1CCN(c2cc3[nH]c(N(CC4CCCCC4)c4ncc[nH]4)nc3cc2C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.33
KDM5A P29375 1/20 0.33
PRSS12 P56730 1/20 0.33
OPRL1 P41146 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
AR P10275 1/20 0.32
HTR6 P50406 5/20 0.31
PDE10A Q9Y233 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM3B Q7LBC6 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL2933101 0.79 HRH4 (0.31) HRH4
SCHEMBL2931481 0.75 HRH4 (0.43) PRSS12HTR6HRH4CLK2CLK3
SCHEMBL2932436 0.71 MAP4K1 (0.36) HRH4
SCHEMBL2929163 0.70 RIPK1 (0.43) HRH4
SCHEMBL2925668 0.69 HRH4 (0.41) OPRL1HTR6HRH4
SCHEMBL2925796 0.69 HRH4 (0.41) OPRL1HTR6HRH4
SCHEMBL2931206 0.68 KCNH2 (0.35) OPRL1OPRM1OPRK1HRH4
SCHEMBL2931308 0.68 KDM4E (0.39) HRH4
SCHEMBL2923944 0.67 KCNH2 (0.35) OPRL1OPRM1OPRK1HRH4
SCHEMBL2927890 0.66 KCNH2 (0.35) HRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 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 (1 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-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KDM5B 429/4885KDM5A 431/4885PRSS12 4611/4885

“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.