SCHEMBL22966949

SCHEMBL22966949

CNC(=O)COc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ EGFR P00533 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.44
▸ RET P07949 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ MPO P05164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL21217622 0.91 ROCK2 (0.53) MAOBNPC1MEN1KMT2AROCK2
SCHEMBL22967054 0.88 ROCK2 (0.53) NPC1EGFRROCK2CDK4CCND1
SCHEMBL24610278 0.87 RET (0.48) MAOBNPC1MEN1KMT2AEGFR
SCHEMBL21198598 0.85 ROCK2 (0.44) MAOBNPC1MEN1KMT2AEGFR
SCHEMBL21217913 0.81 ROCK2 (0.54) NPC1ROCK2ROCK1
SCHEMBL22967232 0.81 RET (0.44) MAOBEGFRRETSYKROCK2
SCHEMBL22966856 0.81 ROCK1 (0.52) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL21217619 0.81 ROCK1 (0.52) NPC1ROCK2ROCK1
SCHEMBL22966914 0.81 ROCK1 (0.52) NPC1ROCK2ROCK1
SCHEMBL21217908 0.79 MEN1 (0.52) MAOBNPC1MEN1KMT2AROCK2

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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA MAOB 2505/4885NPC1 1504/4885MEN1 2942/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA MAOB 2360/4885NPC1 1742/4885MEN1 2886/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA MAOB 2505/4885NPC1 1504/4885MEN1 2942/4885

“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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