SCHEMBL29778992

SCHEMBL29778992

O=C(NCc1ccncc1)c1cccc(Cn2cnc3cc(-c4cn[nH]c4C(F)(F)F)ccc3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.46
GRK2 P25098 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
GRK1 Q15835 1/20 0.42
SLC2A1 P11166 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
EPHX2 P34913 1/20 0.39
PPARG P37231 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
SCHEMBL24617397 1.00 MMP13 (0.46) MMP13GRK2ROCK2ROCK1LMNA
SCHEMBL24617396 0.95 GRK2 (0.47) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL30656464 0.93 METAP2 (0.45) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617393 0.93 METAP2 (0.45) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617501 0.89 GRK2 (0.46) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617402 0.88 GRK2 (0.44) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL29136007 0.88 ROCK1 (0.48) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617357 0.86 ROCK1 (0.48) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617503 0.85 GRK2 (0.43) MMP13GRK2ROCK2ROCK1GRK1
SCHEMBL24617504 0.84 GRK2 (0.43) MMP13GRK2ROCK2ROCK1GRK1

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-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
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 MMP13 2475/4885GRK2 216/4885ROCK2 1/4885

“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.