SCHEMBL29896151

SCHEMBL29896151

COc1ccc(C(=O)NCc2cnccc2C)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CYP2C19 P33261 1/20 0.50
▸ PIK3CA P42336 1/20 0.49
▸ ROCK2 O75116 8/20 0.48
▸ ROCK1 Q13464 4/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNQ3 O43525 1/20 0.47

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
SCHEMBL27188863 1.00 L3MBTL1 (0.53) L3MBTL1USP2ALDH1A1NPSR1CYP1A2
SCHEMBL29896155 0.88 ROCK2 (0.49) L3MBTL1USP2ALDH1A1NPSR1PIK3CA
SCHEMBL27188856 0.88 ROCK2 (0.49) L3MBTL1USP2ALDH1A1NPSR1PIK3CA
SCHEMBL29896120 0.88 PIK3CA (0.47) L3MBTL1USP2ALDH1A1NPSR1CYP1A2
SCHEMBL27188834 0.88 PIK3CA (0.47) L3MBTL1USP2ALDH1A1NPSR1CYP1A2
SCHEMBL29896148 0.86 ROCK2 (0.47) PIK3CAROCK2ROCK1
SCHEMBL27188822 0.86 ROCK2 (0.47) PIK3CAROCK2ROCK1
SCHEMBL29896169 0.84 PIK3CA (0.45) PIK3CAROCK2ROCK1
SCHEMBL27188804 0.84 PIK3CA (0.45) PIK3CAROCK2ROCK1
SCHEMBL29896178 0.83 ROCK2 (0.50) L3MBTL1USP2ALDH1A1NPSR1CYP1A2

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 L3MBTL1 4086/4885USP2 4685/4885ALDH1A1 3523/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B L3MBTL1 4086/4885USP2 4685/4885ALDH1A1 3523/4885

“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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