SCHEMBL29296058

SCHEMBL29296058

CCn1cc(C(F)(F)F)nc1-c1ccc(CN2CC(=O)Nc3cnc(Cl)nc32)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 15/20 0.41
▸ RPS6KA3 P51812 2/20 0.34
▸ WDR48 Q8TAF3 3/20 0.34
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL29296052 0.91 USP1 (0.40) USP1RPS6KA3
SCHEMBL29296065 0.87 USP1 (0.34) USP1RPS6KA3WDR48HDAC1HDAC6
SCHEMBL27088186 0.81 USP1 (0.45) USP1
SCHEMBL30693863 0.81 USP1 (0.45) USP1
SCHEMBL30032008 0.79 USP1 (0.33) USP1
SCHEMBL27088164 0.79 USP1 (0.33) USP1
SCHEMBL30032070 0.77 USP1 (0.39) USP1WDR48
SCHEMBL27088229 0.77 USP1 (0.39) USP1WDR48
SCHEMBL25199204 0.76 USP1 (0.40) USP1WDR48
SCHEMBL30443348 0.76 USP1 (0.40) 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 2 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

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 1/4885RPS6KA3 2390/4885WDR48 660/4885

“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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