SCHEMBL22967232

SCHEMBL22967232

COc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)ccc1OCc1nnc(C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.44
▸ SYK P43405 3/20 0.41
▸ TNIK Q9UKE5 1/20 0.39
▸ MAOB P27338 5/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDR P35968 3/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ EPHA2 P29317 1/20 0.36

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
SCHEMBL24968634 0.90 RET (0.36) RETSYKTNIKIGF1RROCK2
SCHEMBL22966858 0.87 CACNA2D1 (0.43) SYKTNIKMAOBROCK2KDR
SCHEMBL24610278 0.85 RET (0.48) RETSYKTNIKMAOBIGF1R
SCHEMBL22966949 0.81 MAOB (0.46) RETSYKTNIKMAOBROCK2
SCHEMBL21217622 0.79 ROCK2 (0.53) MAOBROCK2
SCHEMBL24094235 0.77 NPC1 (0.44) RETSYKTNIKROCK2EGFR
SCHEMBL22967054 0.76 ROCK2 (0.53) ROCK2EGFRALDH1A1MAPTHPGD
SCHEMBL21217772 0.75 TNIK (0.61) RETSYKTNIKROCK2KDM4E
SCHEMBL24094106 0.75 ROCK2 (0.47) RETSYKTNIKMAOBROCK2
SCHEMBL24610311 0.75 AGPAT2 (0.42) RETSYKTNIKIGF1RROCK2

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 RET 1721/4885SYK 1214/4885TNIK 249/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA RET 1738/4885SYK 1081/4885TNIK 251/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA RET 1721/4885SYK 1214/4885TNIK 249/4885

“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