SCHEMBL785929

SCHEMBL785929

CN1C=C2C(=O)N(C3CCC(N(C)C(=O)c4ccc5c(c4)C(NC(=O)c4cccnc4C(F)(F)F)CC5)CC3)CN2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.33
BRD4 O60885 1/20 0.32
WDR5 P61964 1/20 0.32
SMO Q99835 2/20 0.31
PDK2 Q15119 1/20 0.31
RAMP1 O60894 1/20 0.31
CALCRL Q16602 1/20 0.31
KLKB1 P03952 1/20 0.31
POLB P06746 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL785551 0.86 ALDH1A1 (0.39) PDE10ABRD4JAK2JAK1
SCHEMBL785928 0.81 PDE10A (0.34) PDE10ABRD4WDR5SMOPDK2
SCHEMBL784682 0.80 BRD4 (0.34) BRD4POLB
SCHEMBL785107 0.79 WDR5 (0.37) PDE10AWDR5SMOPDK2POLB
SCHEMBL784462 0.77 WDR5 (0.35) PDE10AWDR5SMOPDK2KLKB1
SCHEMBL784800 0.77 WDR5 (0.40) WDR5SMOPDK2KLKB1
SCHEMBL784592 0.77 WDR5 (0.36) PDE10AWDR5SMOKLKB1
SCHEMBL785366 0.76 WDR5 (0.38) PDE10AWDR5SMOKLKB1
SCHEMBL785902 0.76 CTSS (0.36) PDE10AWDR5SMOPDK2KLKB1
SCHEMBL785506 0.76 TAF1 (0.38) WDR5SMOKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PDE10A 589/4885BRD4 238/4885WDR5 2611/4885

“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.