SCHEMBL31290944

SCHEMBL31290944

Cc1ccc(N)cc1Oc1ccnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.49
MET P08581 9/20 0.44
CYP3A4 P08684 1/20 0.44
MAP3K7 O43318 2/20 0.44
MAP4K2 Q12851 2/20 0.44
MAPK14 Q16539 2/20 0.41
FLT3 P36888 2/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
RAF1 P04049 1/20 0.41
FES P07332 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 1/20 0.41
FER P16591 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHB2 P29323 1/20 0.41
CSK P41240 1/20 0.41
ABL2 P42684 1/20 0.41
EPHB4 P54760 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41

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
SCHEMBL24885851 1.00 ROCK2 (0.49) ROCK2METCYP3A4MAP3K7MAP4K2
SCHEMBL19986860 0.86 MET (0.49) ROCK2METMAP3K7MAP4K2MAPK14
SCHEMBL31061568 0.81 MAP3K7 (0.53) ROCK2METMAP3K7MAP4K2MAPK14
SCHEMBL31554522 0.81 ROCK2 (0.65) ROCK2METCYP3A4
SCHEMBL3485162 0.81 ROCK2 (0.52) ROCK2METCYP3A4
SCHEMBL2879737 0.81 ROCK2 (0.65) ROCK2METCYP3A4
Hydrochloric Acid SCHEMBL5097103 0.80 ROCK2 (0.64) ROCK2METCYP3A4
SCHEMBL1896008 0.79 TTBK1 (0.56) ROCK2METMAPK14KDR
SCHEMBL29837329 0.78 ROCK2 (0.53) ROCK2METCYP3A4MAPK14FLT3
SCHEMBL25793147 0.78 ROCK2 (0.53) ROCK2METCYP3A4MAPK14FLT3

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-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH ROCK2 417/4885MET 709/4885CYP3A4 4766/4885

“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.