SCHEMBL29896091

SCHEMBL29896091

CCc1ccncc1CNC(=O)c1cnc(OC(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.41
▸ GAA P10253 1/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ DDR1 Q08345 2/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGDS O60760 1/20 0.37

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
SCHEMBL27188830 1.00 ROCK2 (0.41) ROCK2GAANAMPTDDR1SCN2A
SCHEMBL23143264 0.89 PIK3CA (0.43) ROCK2GAANAMPTSCN2ASCN10A
SCHEMBL29896173 0.89 PIK3CA (0.43) ROCK2GAANAMPTSCN2ASCN10A
SCHEMBL27188884 0.89 SCN2A (0.41) ROCK2GAANAMPTSCN2ASCN10A
SCHEMBL29896188 0.89 SCN2A (0.41) ROCK2GAANAMPTSCN2ASCN10A
SCHEMBL29896103 0.88 GAA (0.41) ROCK2GAAEPHX2LMNA
SCHEMBL27188837 0.88 GAA (0.41) ROCK2GAAEPHX2LMNA
SCHEMBL23143270 0.88 POLB (0.44) ROCK2EPHX2HDAC1HPGDS
SCHEMBL29896088 0.88 POLB (0.44) ROCK2EPHX2HDAC1HPGDS
SCHEMBL29896142 0.87 ROCK2 (0.39) ROCK2GAASCN2ASCN10AEPHX2

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 ROCK2 4595/4885GAA 3884/4885NAMPT 953/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B ROCK2 4595/4885GAA 3884/4885NAMPT 953/4885

“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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