SCHEMBL25458468

SCHEMBL25458468

CS(C)(C)CCOCn1nc(F)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL25173418 0.85 NPC1 (0.32) DCTPP1TDP1NPC1RECQLRAB9A
SCHEMBL25458256 0.80 KDR (0.32) —
SCHEMBL14910262 0.78 KDR (0.37) DCTPP1HTR2AHTR6TDP1NPC1
SCHEMBL10076076 0.76 TDP1 (0.36) DCTPP1TDP1HSD17B10ALDH1A1
SCHEMBL14910863 0.74 TDP1 (0.39) TDP1NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL19432282 0.69 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL19432663 0.69 PKM (0.33) RAB9AALDH1A1LMNA
SCHEMBL25175972 0.67 ALDH1A1 (0.33) HTR2ATDP1NPC1RECQLRAB9A
SCHEMBL21227990 0.67 LMNA (0.30) LMNA
SCHEMBL8340204 0.65 TOP2A (0.41) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — 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-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CDK1, CSNK1A1, CSNK1G1 DCTPP1 607/4885HTR2A 2475/4885HTR6 2313/4885

“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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