SCHEMBL21217620

SCHEMBL21217620

COc1cc(OC)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.53
▸ KDR P35968 3/20 0.49
▸ SYK P43405 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ROCK2 O75116 9/20 0.47
▸ ROCK1 Q13464 6/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ PRKG1 Q13976 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ RET P07949 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ FGFR3 P22607 1/20 0.42
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL21217772 0.91 TNIK (0.61) TNIKKDRSYKNPC1RAB9A
SCHEMBL21217617 0.90 KDR (0.54) TNIKKDRSYKNPC1RAB9A
Hydrochloric Acid SCHEMBL21198146 0.90 TNIK (0.60) TNIKKDRSYKNPC1RAB9A
SCHEMBL24094151 0.81 SMO (0.48) TNIKKDRSYKNPC1RAB9A
SCHEMBL24094169 0.81 NPC1 (0.55) TNIKKDRSYKNPC1RAB9A
SCHEMBL24094106 0.81 ROCK2 (0.47) TNIKKDRSYKROCK2ROCK1
SCHEMBL22966916 0.80 TNIK (0.59) TNIKKDRNPC1RAB9AROCK2
SCHEMBL22966948 0.80 MEN1 (0.49) TNIKKDRSYKNPC1RAB9A
SCHEMBL24610278 0.79 RET (0.48) TNIKKDRSYKNPC1RAB9A
SCHEMBL21217908 0.79 MEN1 (0.52) TNIKKDRNPC1RAB9AROCK2

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 249/4885KDR 2211/4885SYK 1214/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA TNIK 251/4885KDR 2565/4885SYK 1081/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA TNIK 249/4885KDR 2211/4885SYK 1214/4885

“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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