SCHEMBL30656540

SCHEMBL30656540

CNC(=O)c1cccc(Cn2cc(CC(C)O)c3cc(-c4cn[nH]c4C(F)(F)F)ccc3c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
GRK2 P25098 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 4/20 0.36
TNIK Q9UKE5 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
METAP2 P50579 3/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC7A5 Q01650 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TAF1 P21675 1/20 0.34
FGFR1 P11362 1/20 0.34
DDR2 Q16832 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL29135965 1.00 TDO2 (0.40) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29779026 0.90 TDO2 (0.41) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29136004 0.90 TDO2 (0.41) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL30656477 0.89 GRK2 (0.37) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29136009 0.89 GRK2 (0.37) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL24617445 0.89 MAPK1 (0.41) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29778381 0.89 MAPK1 (0.41) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29778614 0.88 TDO2 (0.40) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29135932 0.88 TDO2 (0.40) TDO2GRK2MAPK1BRD4TNIK
SCHEMBL29135935 0.87 TDO2 (0.42) TDO2GRK2MAPK1BRD4TNIK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US claimed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN claimed
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US disclosed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 TDO2 2245/4885GRK2 216/4885MAPK1 146/4885

“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.