SCHEMBL6468498

SCHEMBL6468498

CCc1ccc2nc(C(F)(F)F)cn2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.54
AHR P35869 1/20 0.35
SCN5A Q14524 1/20 0.35
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 3/20 0.32
ALPI P09923 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTGS1 P23219 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL2065987 0.88 PDE10A (0.58) PDE10AAHRSCN5ADPP4DPP8
SCHEMBL18819912 0.85 PDE10A (0.41) PDE10AAHRKDM4ECYP11B2PDCD1
SCHEMBL17234784 0.81 PDE10A (0.40) PDE10AAHRKDM4EPTGS2ALPI
SCHEMBL12844138 0.79 PDE10A (0.36) PDE10AAHRKDM4EPDCD1CD274
SCHEMBL12962511 0.78 PDE10A (0.45) PDE10AAHRSCN5ADPP4DPP8
SCHEMBL2066163 0.78 PDE10A (0.50) PDE10AAHRKDM4EPDCD1CD274
SCHEMBL2067920 0.78 PDE10A (0.34) PDE10AAHRKDM4ECYP11B2PDCD1
SCHEMBL13080295 0.77 PDE10A (0.38) PDE10AAHRSCN5AKDM4E
SCHEMBL3151360 0.76 DYRK1A (0.50) PDE10AAHRKDM4EPDCD1CD274
SCHEMBL2067911 0.75 AHR (0.38) PDE10AAHRKDM4EPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 PDE10A 1664/4885AHR 486/4885SCN5A 3241/4885

“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.