SCHEMBL20181387

SCHEMBL20181387

COc1cccc(C(CO)NC(=O)Nc2cc(-c3ccncc3)n[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.55
ROCK1 Q13464 17/20 0.55
PRKG1 Q13976 4/20 0.49
CHEK1 O14757 2/20 0.49
RPS6KA5 O75582 2/20 0.49
PRKCG P05129 2/20 0.49
CDK1 P06493 2/20 0.49
PRKACA P17612 2/20 0.49
RPS6KB1 P23443 2/20 0.49
CDK2 P24941 2/20 0.49
MAPK1 P28482 2/20 0.49
AKT2 P31751 2/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
IRAK1 P51617 2/20 0.49
NEK4 P51957 2/20 0.49
CDK5 Q00535 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKG2 Q13237 2/20 0.49
PKN2 Q16513 2/20 0.49

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
SCHEMBL18254791 1.00 ROCK2 (0.55) ROCK2ROCK1PRKG1CHEK1RPS6KA5
SCHEMBL18254876 0.88 ROCK1 (0.69) ROCK2ROCK1PRKG1CHEK1RPS6KA5
SCHEMBL20181399 0.79 ROCK2 (0.69) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL18254895 0.77 ROCK2 (0.60) ROCK2ROCK1PRKG1PRKACAMAPK1
SCHEMBL13376861 0.77 ROCK1 (0.65) ROCK2ROCK1PRKACACDK2CYP3A4
SCHEMBL21908699 0.77 ROCK2 (0.43) ROCK2ROCK1PRKG1CHEK1RPS6KA5
SCHEMBL18254917 0.75 ROCK1 (0.60) ROCK2ROCK1PRKG1CHEK1RPS6KA5
SCHEMBL14348311 0.74 ROCK1 (0.53) ROCK2ROCK1PRKG1CHEK1RPS6KA5
SCHEMBL20181594 0.74 ROCK2 (0.79) ROCK2ROCK1PRKG1RPS6KA5PRKCG
SCHEMBL20181640 0.74 ROCK2 (0.79) ROCK2ROCK1PRKG1RPS6KA5PRKCG

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 7 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-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2020-08-13 US disclosed
US-10633393-B2 Heterocyclic compounds as kinase inhibitors Translational Drug Development (US) 2020-04-28 US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 US disclosed
US-10392402-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2019-08-27 US disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 WO disclosed
US-20180141959-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2018-05-24 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 (6 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 67/4885PRKG1 120/4885
US-20180141959-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885PRKG1 120/4885
US-10392402-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885PRKG1 120/4885
US-10633393-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885PRKG1 120/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885PRKG1 120/4885
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885PRKG1 120/4885

“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.