SCHEMBL20168523

SCHEMBL20168523

COC(=O)c1cc2ccc(-c3cn[nH]c3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.61
ROCK2 O75116 11/20 0.61
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PAK4 O96013 1/20 0.38
AKT1 P31749 1/20 0.38
PLK1 P53350 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL20168369 0.88 ROCK2 (0.56) ROCK1ROCK2ALDH1A1MAPTKDM4E
SCHEMBL18254786 0.77 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL20181388 0.76 ROCK2 (0.70) ROCK1ROCK2
SCHEMBL21376352 0.76 ROCK2 (0.70) ROCK1ROCK2
SCHEMBL20168500 0.76 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL30597783 0.76 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL20181637 0.75 ROCK1 (0.69) ROCK1ROCK2
SCHEMBL21376141 0.75 ROCK1 (0.69) ROCK1ROCK2
SCHEMBL20181641 0.75 ROCK2 (0.55) ROCK1ROCK2
SCHEMBL20181638 0.75 ROCK2 (0.72) ROCK1ROCK2

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-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
EP-3541806-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Translational Drug Development, LLC (US) 2019-09-25 EP disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 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
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 ROCK1 67/4885ROCK2 76/4885CSNK2A2 1254/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885CSNK2A2 1254/4885

“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.