SCHEMBL23264142

SCHEMBL23264142

CCc1c(C)nc(OC)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3638759 0.79 TLR8 (0.34) CYP1A2TLR8TLR7ALDH1A1
SCHEMBL25622902 0.78 TSHR (0.33) TSHRCYP1A2CYP2C19
SCHEMBL7309211 0.78 MAPK1 (0.54) TLR8TLR7MAPK1
SCHEMBL501295 0.78 CYP1A2 (0.47) CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL11790744 0.78 KDM4E (0.34) TSHRCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL1444957 0.73 ALDH1A1 (0.38) TSHRCYP1A2ALDH1A1
SCHEMBL1484587 0.71 MAPT (0.33) TSHR
SCHEMBL13485920 0.70 TSHR (0.57) TSHRCYP1A2ALDH1A1
SCHEMBL30941591 0.70 TSHR (0.57) TSHRCYP1A2ALDH1A1
SCHEMBL1668816 0.70 ALDH1A1 (0.36) TSHRCYP1A2ALDH1A1GAA

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-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
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2021-04-22 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 (3 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 TSHR 3538/4885CYP1A2 942/4885CYP2C19 1894/4885
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 TSHR 3538/4885CYP1A2 942/4885CYP2C19 1894/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 TSHR 3538/4885CYP1A2 942/4885CYP2C19 1894/4885

“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.