SCHEMBL29896169

SCHEMBL29896169

COc1ncc(C(=O)NCc2cnccc2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.45
▸ ROCK2 O75116 8/20 0.44
▸ HPGDS O60760 2/20 0.43
▸ CTSA P10619 1/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ GRK5 P34947 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ DGAT2 Q96PD7 2/20 0.41
▸ SOST Q9BQB4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TLR2 O60603 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
SCHEMBL27188804 1.00 PIK3CA (0.45) PIK3CAROCK2HPGDSCTSAROCK1
SCHEMBL29896135 0.90 PIK3CA (0.46) PIK3CAROCK2ROCK1SOSTTLR2
SCHEMBL27188828 0.90 PIK3CA (0.46) PIK3CAROCK2ROCK1SOSTTLR2
SCHEMBL29896165 0.88 ROCK2 (0.44) PIK3CAROCK2ROCK1DGAT2
SCHEMBL27188903 0.88 ROCK2 (0.44) PIK3CAROCK2ROCK1DGAT2
SCHEMBL23143264 0.88 PIK3CA (0.43) PIK3CAROCK2SOSTTLR2
SCHEMBL29896173 0.88 PIK3CA (0.43) PIK3CAROCK2SOSTTLR2
SCHEMBL27188821 0.87 CDK2 (0.48) PIK3CAROCK2HPGDSROCK1PRKACA
SCHEMBL29896163 0.87 CDK2 (0.48) PIK3CAROCK2HPGDSROCK1PRKACA
SCHEMBL29896148 0.86 ROCK2 (0.47) PIK3CAROCK2ROCK1DGAT2SOST

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 PIK3CA 3041/4885ROCK2 4595/4885HPGDS 2677/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B PIK3CA 3041/4885ROCK2 4595/4885HPGDS 2677/4885

“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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