SCHEMBL29896158

SCHEMBL29896158

COc1ccncc1CNC(=O)c1cnc(OC(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ ROCK2 O75116 7/20 0.45
▸ ROCK1 Q13464 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DGAT2 Q96PD7 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B13 Q7Z5P4 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41

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
SCHEMBL27188891 1.00 POLB (0.47) POLBROCK2ROCK1L3MBTL1USP2
SCHEMBL27188903 0.88 ROCK2 (0.44) ROCK2ROCK1DGAT2EPHX2HSD17B13
SCHEMBL29896165 0.88 ROCK2 (0.44) ROCK2ROCK1DGAT2EPHX2HSD17B13
SCHEMBL27188815 0.87 ROCK2 (0.50) ROCK2ROCK1L3MBTL1USP2ALDH1A1
SCHEMBL29896178 0.87 ROCK2 (0.50) ROCK2ROCK1L3MBTL1USP2ALDH1A1
SCHEMBL23143270 0.86 POLB (0.44) POLBROCK2ROCK1L3MBTL1USP2
SCHEMBL29896088 0.86 POLB (0.44) POLBROCK2ROCK1L3MBTL1USP2
SCHEMBL27188902 0.84 ABL1 (0.40) POLBROCK2ROCK1DGAT2EPHX2
SCHEMBL29896119 0.84 ABL1 (0.40) POLBROCK2ROCK1DGAT2EPHX2
SCHEMBL27220646 0.82 PPARG (0.56) ROCK2ROCK1EPHX2PPARGPPARD

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-11952344-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-09 — — US disclosed
US-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-27 — — 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-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2A, GRIN2B POLB 3227/4885ROCK2 4595/4885ROCK1 4416/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B POLB 3227/4885ROCK2 4595/4885ROCK1 4416/4885

“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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