SCHEMBL21217815

SCHEMBL21217815

CC(C)NCCCOc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.53
▸ TNIK Q9UKE5 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ ROCK1 Q13464 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ SMO Q99835 1/20 0.39

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
SCHEMBL21198538 0.97 ROCK2 (0.56) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL24610341 0.89 TNIK (0.45) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL21217865 0.87 MEN1 (0.43) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL21217532 0.87 TNIK (0.44) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL21217892 0.86 TNIK (0.41) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL21217893 0.86 ROCK1 (0.46) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL24094324 0.86 TNIK (0.43) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL22966756 0.86 MEN1 (0.44) ROCK2TNIKCACNA2D1ROCK1MEN1
SCHEMBL22966729 0.86 TNIK (0.44) ROCK2TNIKCACNA2D1ROCK1MEN1
Hydrochloric Acid SCHEMBL21198685 0.86 ROCK1 (0.46) ROCK2ROCK1MEN1KMT2ANPC1

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 1/4885TNIK 251/4885CACNA2D1 3693/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK2 1/4885TNIK 249/4885CACNA2D1 3644/4885

“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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