SCHEMBL22971563

SCHEMBL22971563

Nc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccnc(-c4ccncc4)c3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 11/20 0.55
▸ ROCK2 O75116 3/20 0.55
▸ PARP1 P09874 1/20 0.50
▸ WNT3A P56704 1/20 0.49
▸ PRKACA P17612 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CLK1 P49759 1/20 0.46

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 0.88 ROCK1 (0.56) ROCK1ROCK2PARP1WNT3APRKACA
SCHEMBL22971755 0.86 ROCK1 (0.53) ROCK1ROCK2PARP1WNT3APRKACA
SCHEMBL22971707 0.85 ROCK1 (0.54) ROCK1ROCK2PARP1WNT3APRKACA
SCHEMBL22971566 0.85 MPL (0.51) ROCK1ROCK2PARP1PRKACA
SCHEMBL22971748 0.85 ROCK1 (0.49) ROCK1ROCK2PARP1WNT3APRKACA
SCHEMBL22971553 0.85 ROCK1 (0.54) ROCK1ROCK2PARP1WNT3APRKACA
SCHEMBL21241928 0.84 SCD (0.60) PARP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22971722 0.84 ROCK1 (0.56) ROCK1ROCK2PARP1PRKACA
SCHEMBL22971633 0.83 ALOX5 (0.55) ROCK1ROCK2WNT3AALDH1A1MAPT
SCHEMBL21241936 0.82 HDAC3 (0.50) ROCK1MAPTMEN1KMT2A

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-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

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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