SCHEMBL23143264

SCHEMBL23143264

Cc1ccncc1CNC(=O)c1cnc(OC(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.43
▸ ROCK2 O75116 9/20 0.42
▸ GAA P10253 1/20 0.41
▸ SOST Q9BQB4 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL29896173 1.00 PIK3CA (0.43) PIK3CAROCK2GAASOSTTLR2
SCHEMBL27188830 0.89 ROCK2 (0.41) ROCK2GAASCN2ASCN10ANAMPT
SCHEMBL29896091 0.89 ROCK2 (0.41) ROCK2GAASCN2ASCN10ANAMPT
SCHEMBL29896176 0.88 PIK3CA (0.42) PIK3CAROCK2GAASOSTSCN2A
SCHEMBL27188849 0.88 PIK3CA (0.42) PIK3CAROCK2GAASOSTSCN2A
SCHEMBL27188837 0.88 GAA (0.41) ROCK2GAAEPHX2
SCHEMBL29896103 0.88 GAA (0.41) ROCK2GAAEPHX2
SCHEMBL27188804 0.88 PIK3CA (0.45) PIK3CAROCK2SOSTTLR2
SCHEMBL29896169 0.88 PIK3CA (0.45) PIK3CAROCK2SOSTTLR2
SCHEMBL29896088 0.88 POLB (0.44) ROCK2EPHX2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 — — EP claimed
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 — — EP disclosed
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
EP-4034257-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-08-03 — — EP disclosed
WO-2021059017-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 — — 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 (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 PIK3CA 3041/4885ROCK2 4595/4885GAA 3884/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B PIK3CA 3041/4885ROCK2 4595/4885GAA 3884/4885

“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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