SCHEMBL20181589

SCHEMBL20181589

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.64
MAPK3 P27361 6/20 0.64
ROCK2 O75116 6/20 0.59
ROCK1 Q13464 5/20 0.59
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
MME P08473 1/20 0.48
ALPL P05186 1/20 0.48
PRKG1 Q13976 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL20181611 0.88 ROCK1 (0.57) MAPK1MAPK3ROCK2ROCK1ADORA3
SCHEMBL20181599 0.87 ROCK2 (0.74) MAPK1MAPK3ROCK2ROCK1ADORA3
SCHEMBL20181640 0.86 ROCK2 (0.79) MAPK1MAPK3ROCK2ROCK1MME
SCHEMBL20181594 0.86 ROCK2 (0.79) MAPK1MAPK3ROCK2ROCK1MME
SCHEMBL20181593 0.79 MAPT (0.58) MAPK1ROCK2ROCK1ADORA3ADORA2A
SCHEMBL20181396 0.76 ROCK1 (0.78) MAPK1MAPK3ROCK2ROCK1ADORA3
SCHEMBL20181642 0.76 ROCK1 (0.78) MAPK1MAPK3ROCK2ROCK1ADORA3
SCHEMBL13986931 0.75 ALDH1A1 (0.52) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL13986933 0.75 ALDH1A1 (0.52) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL13986977 0.75 ALDH1A1 (0.52) MAPK1MAPK3ROCK2ROCK1PRKG1

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 MAPK1 33/4885MAPK3 29/4885ROCK2 76/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 MAPK1 33/4885MAPK3 29/4885ROCK2 76/4885

“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.