SCHEMBL25791925

SCHEMBL25791925

CCn1cc(C(F)(F)F)nc1-c1ccc(N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.39
PTGS2 P35354 13/20 0.37
PTGS1 P23219 7/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
DGAT1 O75907 1/20 0.33
MPL P40238 1/20 0.33

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
SCHEMBL29296059 0.84 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL25298735 0.84 USP1 (0.39) USP1PTGS2PTGS1DGAT1
SCHEMBL25792147 0.84 AR (0.40) USP1PTGS2
SCHEMBL25792000 0.83 PTGS2 (0.40) USP1PTGS2PTGS1GAATSHR
SCHEMBL25792162 0.82 SCN9A (0.39) USP1PTGS2GLAPOLBGAA
SCHEMBL22143497 0.82 USP1 (0.44) USP1PTGS2PTGS1KDM4E
SCHEMBL25791872 0.82 USP1 (0.44) USP1PTGS2PTGS1KDM4EDGAT1
SCHEMBL31138673 0.82 USP1 (0.44) USP1PTGS2PTGS1KDM4E
SCHEMBL30320408 0.82 USP1 (0.44) USP1PTGS2PTGS1KDM4EDGAT1
SCHEMBL22121876 0.81 PTGS2 (0.40) USP1PTGS2PTGS1

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 USP1 1/4885PTGS2 4515/4885PTGS1 2934/4885

“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.