SCHEMBL1370613

SCHEMBL1370613

CC(C(=O)O)c1cnc(C(=O)c2ccc(NC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.57
F7 P08709 2/20 0.47
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MARK3 P27448 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PRKX P51817 1/20 0.45
LIMK1 P53667 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL1369181 0.90 PTGDR2 (0.70) PTGDR2
SCHEMBL1368832 0.89 PTGDR2 (0.68) PTGDR2RAB9A
SCHEMBL1366789 0.86 PTGDR2 (0.73) PTGDR2MAPK1
SCHEMBL1370449 0.85 PTGDR2 (0.68) PTGDR2
SCHEMBL1367198 0.84 PTGDR2 (0.81) PTGDR2
SCHEMBL1369878 0.81 PTGDR2 (0.70) PTGDR2
SCHEMBL2483862 0.81 PTGDR2 (0.66) PTGDR2
SCHEMBL1367421 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL1369395 0.77 PTGDR2 (0.57) PTGDR2RAB9A
SCHEMBL1367423 0.76 PTGDR2 (0.44) PTGDR2

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-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 PTGDR2 189/4885F7 4156/4885AURKA 4610/4885

“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.