SCHEMBL1369033

SCHEMBL1369033

CC(C(=O)O)c1cnc(C(=O)c2ccc(N)cc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
PTGDR2 Q9Y5Y4 12/20 0.43
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL1369027 0.88 PTGS1 (0.48) PTGS1PTGS2PTGDR2CYP2C19ELANE
SCHEMBL1367360 0.86 PBRM1 (0.49) PTGS1PTGS2PTGDR2ADRA2CMAOA
SCHEMBL1367423 0.85 PTGDR2 (0.44) PTGS1PTGS2PTGDR2
SCHEMBL1369884 0.85 PTGDR2 (0.53) PTGS1PTGS2PTGDR2CYP1A2CYP3A4
SCHEMBL1367148 0.78 ALDH1A1 (0.49) PTGDR2HPGDMAPT
SCHEMBL1369227 0.77 PTGDR2 (0.47) PTGDR2
SCHEMBL1370449 0.76 PTGDR2 (0.68) PTGDR2
SCHEMBL1367124 0.75 L3MBTL1 (0.38) PTGS1PTGS2
SCHEMBL1367408 0.75 PTGDR2 (0.69) PTGDR2
SCHEMBL1369878 0.74 PTGDR2 (0.70) PTGDR2MAOASMN1; SMN2

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-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP 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 PTGS1 40/4885PTGS2 28/4885PTGDR2 189/4885

“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.