SCHEMBL20181399

SCHEMBL20181399

COc1cccc(CNC(=O)Nc2cc(-c3ccncc3)n[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.69
ROCK1 Q13464 12/20 0.69
MAPT P10636 3/20 0.60
PRKACA P17612 2/20 0.58
PRKX P51817 2/20 0.58
PRKCQ Q04759 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
AURKA O14965 1/20 0.56
GRK5 P34947 1/20 0.55
NAMPT P43490 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 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
SCHEMBL13376861 0.85 ROCK1 (0.65) ROCK2ROCK1MAPTPRKACACYP3A4
SCHEMBL18254785 0.83 ROCK2 (0.56) ROCK2ROCK1ALDH1A1
SCHEMBL18254887 0.82 ROCK2 (1.00) ROCK2ROCK1MAPTPRKACAPRKX
SCHEMBL3127521 0.81 ROCK2 (1.00) ROCK2ROCK1MAPTPRKACAPRKX
SCHEMBL5597604 0.80 ROCK2 (0.54) ROCK2ROCK1MAPTMEN1ALDH1A1
SCHEMBL2558208 0.80 ROCK1 (1.00) ROCK2ROCK1PRKACACYP3A4GSK3B
SCHEMBL24867317 0.79 ROCK1 (0.61) ROCK2ROCK1MAPTNAMPTMEN1
SCHEMBL20181387 0.79 ROCK2 (0.55) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL18254791 0.79 ROCK2 (0.55) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL18254876 0.79 ROCK1 (0.69) ROCK2ROCK1PRKACAPRKXPRKCQ

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 67/4885MAPT 2045/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885MAPT 2045/4885

“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.