SCHEMBL25792000

SCHEMBL25792000

CCn1cc(C(F)(F)F)nc1-c1ccc(N)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
PTGS1 P23219 5/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NR4A1 P22736 1/20 0.37
USP1 O94782 3/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25791925 0.83 USP1 (0.39) PTGS2PTGS1GAAKDM4ETSHR
SCHEMBL30320434 0.83 USP1 (0.39) PTGS2PTGS1MAPTKDM4EUSP1
SCHEMBL25792053 0.83 USP1 (0.39) PTGS2PTGS1MAPTKDM4EUSP1
SCHEMBL25290119 0.81 CRHR1 (0.40) PTGS2PTGS1USP1
SCHEMBL25792162 0.79 SCN9A (0.39) PTGS2MAPTGAAKDM4ETSHR
SCHEMBL30477198 0.76 PTGS2 (0.40) PTGS2PTGS1USP1
SCHEMBL25791923 0.76 DGAT1 (0.43) PTGS2PTGS1KDM4EUSP1ALDH1A1
SCHEMBL25975857 0.72 USP1 (0.44) PTGS2PTGS1USP1
SCHEMBL22122078 0.71 CRHR1 (0.39) PTGS2PTGS1USP1
SCHEMBL22122088 0.71 PTGS2 (0.38) PTGS2PTGS1MAPTMAPK1USP1

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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 PTGS2 4515/4885IMPDH2 4074/4885IMPDH1 2645/4885

“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.