SCHEMBL3638839

SCHEMBL3638839

FC1CCN(c2cc(Cl)nc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MAT2A P31153 1/20 0.40
MAT1A Q00266 1/20 0.40
NOTUM Q6P988 4/20 0.40
HTR3E A5X5Y0 1/20 0.37
MEN1 O00255 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR3A P46098 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL3638836 1.00 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL24157179 0.76 USP30 (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL24157173 0.76 USP30 (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL901730 0.76 GRM2 (0.42) NOTUM
SCHEMBL3676938 0.75 PAK4 (0.34) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL3676940 0.75 PAK4 (0.34) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL23516895 0.75 HTT (0.33) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL29762705 0.75 HTT (0.33) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18259210 0.75 BPTF (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL31391082 0.74 CHRNB2 (0.41) MAT2AMAT1ACHRNB2CHRNA4CHRNB4

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-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
EP-2164842-A2 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
WO-2008147626-A2 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-04 WO 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-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRM3 4210/4885PDE4A 1578/4885PDE4B 1395/4885

“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.