SCHEMBL22971553

SCHEMBL22971553

Nc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccnc(N)c4)c3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 4/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ HDAC3 O15379 6/20 0.48
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ NCOR2 Q9Y618 1/20 0.46
▸ WNT3A P56704 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL22971658 0.91 WNT3A (0.56) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971635 0.90 ROCK1 (0.56) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971651 0.90 HDAC3 (0.46) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL21242059 0.90 HDAC3 (0.46) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971654 0.89 ABL1 (0.55) ROCK1PRKACAHDAC3HDAC1HDAC2
SCHEMBL21241936 0.89 HDAC3 (0.50) ROCK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971758 0.88 HDAC3 (0.45) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971685 0.88 HDAC3 (0.45) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971508 0.88 CYP3A4 (0.58) ROCK1CYP3A4PRKACAHDAC3HDAC1
SCHEMBL22971735 0.88 HDAC1 (0.56) ROCK1PRKACAHDAC3HDAC1HDAC2

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 4248/4885CYP3A4 3718/4885PRKACA 755/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ROCK1 4248/4885CYP3A4 3718/4885PRKACA 755/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 ROCK1 1283/4885CYP3A4 3981/4885PRKACA 2663/4885

“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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