SCHEMBL29896135

SCHEMBL29896135

CCOc1ncc(C(=O)NCc2cnccc2C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ROCK2 O75116 8/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SOST Q9BQB4 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ DDR1 Q08345 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL27188828 1.00 PIK3CA (0.46) PIK3CASCN2ASCN10ALMNAROCK2
SCHEMBL29896169 0.90 PIK3CA (0.45) PIK3CAROCK2SOSTTLR2ROCK1
SCHEMBL27188804 0.90 PIK3CA (0.45) PIK3CAROCK2SOSTTLR2ROCK1
SCHEMBL29896106 0.88 PIK3CA (0.47) PIK3CALMNAROCK2NAMPTMAPK1
SCHEMBL27188878 0.88 PIK3CA (0.47) PIK3CALMNAROCK2NAMPTMAPK1
SCHEMBL23143264 0.87 PIK3CA (0.43) PIK3CASCN2ASCN10AROCK2NAMPT
SCHEMBL29896165 0.87 ROCK2 (0.44) PIK3CASCN2ASCN10AROCK2NAMPT
SCHEMBL27188903 0.87 ROCK2 (0.44) PIK3CASCN2ASCN10AROCK2NAMPT
SCHEMBL29896173 0.87 PIK3CA (0.43) PIK3CASCN2ASCN10AROCK2NAMPT
SCHEMBL29896141 0.87 SCN2A (0.51) PIK3CASCN2ASCN10ALMNAROCK2

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 3041/4885SCN2A 31/4885SCN10A 29/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B PIK3CA 3041/4885SCN2A 31/4885SCN10A 29/4885

“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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