SCHEMBL21241972

SCHEMBL21241972

NCc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.53
ROCK1 Q13464 15/20 0.52
PARP1 P09874 1/20 0.52
PRKACA P17612 5/20 0.51
ROCK2 O75116 7/20 0.48
CYP3A4 P08684 1/20 0.48

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 0.91 ROCK1 (0.56) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL21241825 0.88 ROCK1 (0.49) ROCK1PRKACAROCK2CYP3A4
SCHEMBL21241827 0.88 ROCK1 (0.53) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL21241824 0.87 PARP1 (0.50) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL22971555 0.85 HDAC3 (0.48) WNT3AROCK1ROCK2
SCHEMBL22306697 0.84 ROCK1 (0.48) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL22290372 0.84 PARP1 (0.48) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL22290328 0.84 PARP1 (0.48) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL23705338 0.83 MAPT (0.49) WNT3AROCK1PARP1PRKACAROCK2
SCHEMBL30058874 0.83 MAPT (0.49) WNT3AROCK1PARP1PRKACAROCK2

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 4 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-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 WNT3A 3479/4885ROCK1 4248/4885PARP1 491/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB WNT3A 3479/4885ROCK1 4248/4885PARP1 491/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 WNT3A 1322/4885ROCK1 1283/4885PARP1 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.