SCHEMBL785928

SCHEMBL785928

Cc1ncc2n1C(=O)N(C1CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.34
KLKB1 P03952 2/20 0.33
WDR5 P61964 1/20 0.33
PDE2A O00408 1/20 0.33
F10 P00742 4/20 0.32
HCRTR1 O43613 3/20 0.32
F2 P00734 2/20 0.32
SMO Q99835 1/20 0.31
SPR P35270 1/20 0.31
PDK2 Q15119 1/20 0.31
TLR2 O60603 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR2 O43614 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL785550 0.88 ALDH1A1 (0.39) WDR5PDE2AF10F2SPR
SCHEMBL784681 0.81 F10 (0.36) WDR5F10F2MEN1KMT2A
SCHEMBL785929 0.81 PDE10A (0.33) PDE10AKLKB1WDR5SMOPDK2
SCHEMBL785107 0.78 WDR5 (0.37) PDE10AWDR5F10SMOPDK2
SCHEMBL784462 0.78 WDR5 (0.35) PDE10AKLKB1WDR5PDE2ASMO
SCHEMBL784800 0.78 WDR5 (0.40) KLKB1WDR5PDE2AF10HCRTR1
SCHEMBL785506 0.77 TAF1 (0.38) KLKB1WDR5PDE2AHCRTR1SMO
SCHEMBL785531 0.76 WDR5 (0.38) PDE10AKLKB1WDR5HCRTR1SMO
SCHEMBL784592 0.76 WDR5 (0.36) PDE10AKLKB1WDR5PDE2AHCRTR1
SCHEMBL785488 0.76 GBA1 (0.38) KLKB1WDR5PDE2AHCRTR1SMO

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 589/4885KLKB1 377/4885WDR5 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.