SCHEMBL22967287

SCHEMBL22967287

COc1cc(B(O)O)cnc1C(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ SIK2 Q9H0K1 1/20 0.41
▸ SIK3 Q9Y2K2 1/20 0.41
▸ PDE4B Q07343 4/20 0.41
▸ FYN P06241 1/20 0.40
▸ HPGDS O60760 3/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA2 P47869 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
SCHEMBL21593381 0.81 CNR2 (0.48) ALDH1A1SIK2SIK3PDE4BFYN
SCHEMBL31248824 0.79 KDM4E (0.40) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL20240880 0.71 HPGD (0.46) ALDH1A1RAB9AKMT2A
SCHEMBL21593402 0.71 SIK1 (0.48) ALDH1A1SIK2SIK3FYNKDM4E
SCHEMBL8786662 0.70 HPGDS (0.58) ALDH1A1HPGDSKDM4EPOLBRAB9A
SCHEMBL21602909 0.69 PRKAB2 (0.45) ALDH1A1
SCHEMBL5583588 0.69 TAS1R3 (0.53) ALDH1A1PDE4BCHRM4KDM4EMAPT
SCHEMBL456358 0.69 MAPK14 (0.51) ALDH1A1HPGDSPOLBLRRK2MEN1
SCHEMBL20995274 0.68 BMPR1B (0.60) —
SCHEMBL20995275 0.68 BMPR1B (0.60) —

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 ALDH1A1 4441/4885SIK2 858/4885SIK3 1534/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ALDH1A1 4405/4885SIK2 847/4885SIK3 1501/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ALDH1A1 4441/4885SIK2 858/4885SIK3 1534/4885

“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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