SCHEMBL25199204

SCHEMBL25199204

Cc1cc(C(F)(F)F)nn1-c1ccc(CN2CC(=O)Nc3cnc(Cl)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 14/20 0.40
▸ WDR48 Q8TAF3 1/20 0.40
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ NR3C2 P08235 4/20 0.38
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 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
SCHEMBL30443348 1.00 USP1 (0.40) USP1WDR48STIM1ORAI1NR3C2
SCHEMBL30693863 0.79 USP1 (0.45) USP1
SCHEMBL27088186 0.79 USP1 (0.45) USP1
SCHEMBL25184227 0.79 USP1 (0.67) USP1WDR48
SCHEMBL30443076 0.79 USP1 (0.67) USP1WDR48
SCHEMBL29296052 0.77 USP1 (0.40) USP1
SCHEMBL30443641 0.76 USP1 (0.43) USP1WDR48STIM1ORAI1
SCHEMBL25184831 0.76 USP1 (0.43) USP1WDR48STIM1ORAI1
SCHEMBL29296058 0.76 USP1 (0.41) USP1WDR48
SCHEMBL30032070 0.76 USP1 (0.39) USP1WDR48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 — — WO disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 — — WO 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-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR USP1, USP2, USP3 USP1 1/4885WDR48 660/4885STIM1 3827/4885

“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.

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