SCHEMBL25317042

SCHEMBL25317042

Brc1ccc(-n2cnc(C3CC3)c2)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MAP3K5 Q99683 15/20 0.35
GRM5 P41594 2/20 0.35
AVPR1A P37288 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GRM1 Q13255 1/20 0.30

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
SCHEMBL25318462 0.83 MAP3K5 (0.42) MAP3K5
SCHEMBL25317556 0.83 MAP3K5 (0.44) MAP3K5
SCHEMBL28409944 0.80 MAP3K5 (0.45) MAP3K5
SCHEMBL30536002 0.80 PSEN1 (0.35) NPC1RAB9ANLRP3MAP3K5AVPR1A
SCHEMBL25316646 0.80 PSEN1 (0.35) NPC1RAB9ANLRP3MAP3K5AVPR1A
SCHEMBL25316032 0.79 NPC1 (0.53) NPC1RAB9ANLRP3MAP3K5
SCHEMBL30352583 0.74 MAP3K5 (0.47) NPC1RAB9ANLRP3MAP3K5
SCHEMBL28848700 0.74 MAP3K5 (0.35) NPC1RAB9ANLRP3MAP3K5GRM5
SCHEMBL25316841 0.74 MAP3K5 (0.47) NPC1RAB9ANLRP3MAP3K5
SCHEMBL21461042 0.68 MAP3K5 (0.42) MAP3K5

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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 US disclosed
WO-2025017305-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed
EP-4466071-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) Redx Pharma Limited (GB) 2024-11-27 EP disclosed
CN-118632845-A Modulators of Rho-associated protein kinase (ROCK) 莱德克斯制药有限公司 2024-09-10 CN disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 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 (1 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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA NPC1 1601/4885RAB9A 384/4885NLRP3 3941/4885

“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.