SCHEMBL25729010

SCHEMBL25729010

COc1ccc(-c2nc(C(F)(F)F)cn2C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.42
USP1 O94782 1/20 0.42
PTGS2 P35354 9/20 0.41
PTGS1 P23219 4/20 0.41
NT5E P21589 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31661780 0.81 NPC1 (0.52) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL25198784 0.81 HTT (0.42) USP1PTGS2PTGS1NT5E
SCHEMBL31138745 0.81 PTGS2 (0.38) USP1PTGS2PTGS1
SCHEMBL31661551 0.79 NPC1 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31138587 0.79 KDM4E (0.42) USP1KDM4EALDH1A1
SCHEMBL29131089 0.79 KDM4E (0.42) USP1KDM4EALDH1A1
SCHEMBL10916369 0.79 PTGS1 (0.57) USP1PTGS2PTGS1NT5EKDM4E
SCHEMBL28720549 0.78 PTGS2 (0.41) USP1PTGS2PTGS1
SCHEMBL29295998 0.78 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL22143054 0.77 USP1 (0.43) USP1PTGS2

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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 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 (2 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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 AMY1A 1846/4885USP1 1/4885PTGS2 3532/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 AMY1A 1846/4885USP1 1/4885PTGS2 3532/4885

“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.