SCHEMBL21217532

SCHEMBL21217532

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.44
▸ SMO Q99835 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ROCK2 O75116 8/20 0.40
▸ ROCK1 Q13464 3/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PRKG1 Q13976 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CDC7 O00311 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
SCHEMBL22966729 0.95 TNIK (0.44) TNIKSMOMKNK1MAPKAPK2MEN1
SCHEMBL24610341 0.88 TNIK (0.45) TNIKSMOMKNK1MAPKAPK2MEN1
SCHEMBL24094169 0.88 NPC1 (0.55) TNIKSMOMKNK1MAPKAPK2MEN1
SCHEMBL21217815 0.87 ROCK2 (0.53) TNIKSMOMEN1KMT2ANPC1
SCHEMBL21217892 0.86 TNIK (0.41) TNIKSMOMKNK1MEN1KMT2A
SCHEMBL24094324 0.85 TNIK (0.43) TNIKSMOMKNK1MEN1KMT2A
SCHEMBL21198538 0.85 ROCK2 (0.56) TNIKSMOMEN1KMT2ANPC1
SCHEMBL21217894 0.85 MEN1 (0.41) TNIKSMOMKNK1MAPKAPK2MEN1
SCHEMBL21217530 0.84 ROCK2 (0.57) TNIKMEN1KMT2ANPC1RAB9A
SCHEMBL21217616 0.84 CDC7 (0.54) TNIKCDC7

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 7 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
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 (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 TNIK 249/4885SMO 1050/4885MKNK1 213/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA TNIK 251/4885SMO 1092/4885MKNK1 208/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA TNIK 249/4885SMO 1050/4885MKNK1 213/4885

“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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