SCHEMBL27188902

SCHEMBL27188902

COc1ncncc1CNC(=O)c1cnc(OC(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HPGDS O60760 3/20 0.39
▸ RIPK1 Q13546 6/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ POLB P06746 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
SCHEMBL29896119 1.00 ABL1 (0.40) ABL1ROCK2ROCK1HPGDSRIPK1
SCHEMBL29896087 0.86 ROCK2 (0.47) ABL1ROCK2ROCK1EPHX2
SCHEMBL23143269 0.86 ROCK2 (0.47) ABL1ROCK2ROCK1EPHX2
SCHEMBL29766199 0.85 HPGDS (0.39) ROCK2ROCK1HPGDSEPHX2POLB
SCHEMBL27188858 0.85 HPGDS (0.39) ABL1ROCK2ROCK1HPGDSEPHX2
SCHEMBL23143262 0.85 HPGDS (0.39) ROCK2ROCK1HPGDSEPHX2POLB
SCHEMBL29896158 0.84 POLB (0.47) ROCK2ROCK1RIPK1EPHX2DGAT2
SCHEMBL27188891 0.84 POLB (0.47) ROCK2ROCK1RIPK1EPHX2DGAT2
SCHEMBL27188861 0.82 ALDH1A1 (0.40) ROCK2ROCK1HPGDSPOLB
SCHEMBL29896165 0.82 ROCK2 (0.44) ROCK2ROCK1RIPK1EPHX2PIK3CA

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 3 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

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-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B ABL1 4717/4885ROCK2 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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