SCHEMBL20181640

SCHEMBL20181640

O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.79
ROCK1 Q13464 4/20 0.79
MAPK1 P28482 13/20 0.64
MAPK3 P27361 7/20 0.64
RPS6KA5 O75582 2/20 0.53
MAP4K4 O95819 2/20 0.53
PRKACA P17612 2/20 0.53
RPS6KB1 P23443 2/20 0.53
AKT1 P31749 2/20 0.53
AKT2 P31751 2/20 0.53
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
PRKX P51817 2/20 0.53
NEK4 P51957 2/20 0.53
PRKCD Q05655 2/20 0.53
PRKG2 Q13237 2/20 0.53
PRKG1 Q13976 2/20 0.53
PKN2 Q16513 2/20 0.53
CDC42BPA Q5VT25 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53

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
SCHEMBL20181594 1.00 ROCK2 (0.79) ROCK2ROCK1MAPK1MAPK3RPS6KA5
SCHEMBL20181642 0.89 ROCK1 (0.78) ROCK2ROCK1MAPK1MAPK3RPS6KA5
SCHEMBL20181396 0.89 ROCK1 (0.78) ROCK2ROCK1MAPK1MAPK3RPS6KA5
SCHEMBL18254900 0.88 ROCK2 (1.00) ROCK2ROCK1MAPK1MAPK3RPS6KA5
SCHEMBL20181589 0.86 MAPK1 (0.64) ROCK2ROCK1MAPK1MAPK3PRKG1
SCHEMBL20113297 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17515180 0.76 MAPK1 (0.61) ROCK2ROCK1MAPK1MAPK3GSK3A
SCHEMBL17515182 0.76 MAPK1 (0.61) ROCK2ROCK1MAPK1MAPK3GSK3A
SCHEMBL13986996 0.76 ROCK1 (0.60) ROCK2ROCK1MAPK1MAPK3RPS6KA5
SCHEMBL20916835 0.74 MAPK1 (0.69) ROCK2ROCK1MAPK1MAPK3RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 US disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 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 (2 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-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885MAPK1 33/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885MAPK1 33/4885

“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.