SCHEMBL12829863

SCHEMBL12829863

CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCc1ccccc1)C(=O)CCCCF

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 15/20 0.59
PDE10A Q9Y233 1/20 0.48
KIF11 P52732 4/20 0.43

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
SCHEMBL14264699 0.93 CXCR3 (0.63) CXCR3PDE10AKIF11
SCHEMBL12829873 0.77 CXCR3 (0.51) CXCR3PDE10AKIF11
SCHEMBL12463674 0.75 POLB (0.48) CXCR3PDE10A
SCHEMBL16152253 0.75 CXCR3 (0.58) CXCR3PDE10A
SCHEMBL12463979 0.74 CXCR3 (0.60) CXCR3KIF11
SCHEMBL12463980 0.71 CXCR3 (0.50) CXCR3PDE10AKIF11
SCHEMBL12829861 0.70 CXCR3 (0.88) CXCR3
SCHEMBL12464100 0.69 CXCR3 (0.67) CXCR3
SCHEMBL12464089 0.69 CXCR3 (0.46) CXCR3PDE10AKIF11
SCHEMBL14621132 0.68 CXCR3 (1.00) CXCR3

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-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 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-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 CXCR3 1281/4885PDE10A 1544/4885KIF11 2744/4885

“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.