SCHEMBL21241827

SCHEMBL21241827

CNc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 10/20 0.53
▸ ROCK2 O75116 3/20 0.53
▸ PARP1 P09874 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MPL P40238 5/20 0.49
▸ PRKACA P17612 4/20 0.48
▸ WNT3A P56704 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 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
SCHEMBL22971635 0.89 ROCK1 (0.56) ROCK1ROCK2PARP1ALDH1A1MPL
SCHEMBL21241824 0.88 PARP1 (0.50) ROCK1ROCK2PARP1ALDH1A1KDM4E
SCHEMBL21241972 0.88 WNT3A (0.53) ROCK1ROCK2PARP1PRKACAWNT3A
SCHEMBL25502159 0.84 ALDH1A1 (0.51) ROCK1ROCK2PARP1ALDH1A1PRKACA
SCHEMBL31173297 0.84 WNT3A (0.57) ROCK1ROCK2PARP1PRKACAWNT3A
SCHEMBL22290890 0.84 WNT3A (0.57) ROCK1ROCK2PARP1PRKACAWNT3A
SCHEMBL23704805 0.83 MAPT (0.50) ROCK1ROCK2PARP1ALDH1A1MPL
SCHEMBL22306697 0.83 ROCK1 (0.48) ROCK1ROCK2PARP1ALDH1A1PRKACA
SCHEMBL31173242 0.83 PARP1 (0.47) ROCK1ROCK2PARP1ALDH1A1PRKACA
SCHEMBL22290647 0.83 PARP1 (0.47) ROCK1ROCK2PARP1ALDH1A1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 — — US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 — — US disclosed
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 — — 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 (3 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-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ROCK1 4248/4885ROCK2 3927/4885PARP1 491/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ROCK1 4248/4885ROCK2 3927/4885PARP1 491/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 ROCK1 1283/4885ROCK2 2299/4885PARP1 147/4885

“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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