SCHEMBL21217751

SCHEMBL21217751

CC(=O)NCCOc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ROCK1 Q13464 4/20 0.45
▸ TNIK Q9UKE5 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ PRMT5 O14744 1/20 0.40

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
SCHEMBL22966756 0.91 MEN1 (0.44) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21217755 0.89 MEN1 (0.44) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21217893 0.89 ROCK1 (0.46) ROCK2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL21198685 0.88 ROCK1 (0.46) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21217865 0.88 MEN1 (0.43) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL24610341 0.88 TNIK (0.45) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21217888 0.87 ROCK2 (0.44) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21217909 0.87 ROCK2 (0.56) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL21198160 0.86 MEN1 (0.41) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL29672455 0.86 MEN1 (0.41) ROCK2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — 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 (2 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK2 1/4885NPC1 1742/4885RAB9A 415/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK2 1/4885NPC1 1504/4885RAB9A 377/4885

“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.

Send feedback