SCHEMBL29791503

SCHEMBL29791503

COc1cc(Cn2cnc3ccc(-c4ccnc5[nH]ccc45)cc3c2=O)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 3/20 0.65
ROCK1 Q13464 8/20 0.59
ROCK2 O75116 7/20 0.59
PRKCI P41743 6/20 0.53
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCZ Q05513 1/20 0.46
AURKA O14965 1/20 0.45
PRKCB P05771 1/20 0.45
AKT1 P31749 1/20 0.45
GRK5 P34947 1/20 0.45
GRK6 P43250 1/20 0.45
CAMK2B Q13554 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
GRK7 Q8WTQ7 1/20 0.45
BRD4 O60885 1/20 0.45
TNIK Q9UKE5 2/20 0.44
MMP13 P45452 1/20 0.43

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
SCHEMBL22944042 1.00 GRK2 (0.65) GRK2ROCK1ROCK2PRKCICYP3A4
SCHEMBL22944014 0.84 ROCK2 (0.70) GRK2ROCK1ROCK2PRKCIAURKA
SCHEMBL29791519 0.84 ROCK2 (0.70) GRK2ROCK1ROCK2PRKCIAURKA
SCHEMBL22944554 0.79 GRK2 (1.00) GRK2ROCK1ROCK2AURKAPRKCB
SCHEMBL29791516 0.79 GRK2 (1.00) GRK2ROCK1ROCK2AURKAPRKCB
SCHEMBL22944248 0.72 ROCK1 (0.66) GRK2ROCK1ROCK2AURKAPRKCB
SCHEMBL22943511 0.71 GRK2 (1.00) GRK2ROCK1ROCK2AURKAPRKCB
SCHEMBL13362788 0.71 ROCK2 (0.67) GRK2ROCK1ROCK2AURKAPRKCB
SCHEMBL858227 0.68 BRD4 (0.75) ROCK1PRKCICYP3A4CYP2D6PRKCA
SCHEMBL18767082 0.66 IKBKB (0.52) ROCK1PRKCIGRK5BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267298-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-08-25 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 (1 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-20220267298-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK4, GRK3 GRK2 1/4885ROCK1 803/4885ROCK2 384/4885

“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.