SCHEMBL1720040

SCHEMBL1720040

O=c1occ(-c2ccncc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.43
MAPK1 P28482 2/20 0.43
IMPDH2 P12268 1/20 0.43
ACVR1 Q04771 1/20 0.42
HTR6 P50406 1/20 0.41
MAPK14 Q16539 2/20 0.40
NOTUM Q6P988 1/20 0.40
CFTR P13569 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GSK3B P49841 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL27714174 0.84 SMN1; SMN2 (0.45) HSD17B10MAPK1MAPTALDH1A1HPGD
SCHEMBL13907315 0.73 IMPDH2 (0.57) HSD17B10MAPK1IMPDH2HTR6NOTUM
SCHEMBL30084946 0.73 IMPDH2 (0.57) HSD17B10MAPK1IMPDH2HTR6NOTUM
SCHEMBL23996421 0.71 IMPDH2 (0.55) HSD17B10MAPK1IMPDH2HTR6NOTUM
SCHEMBL21297634 0.70 GSK3B (0.37) HSD17B10MAPK1IMPDH2ACVR1HTR6
SCHEMBL9047747 0.69 PIK3R1 (0.42) HSD17B10MAPK14NOTUMCFTRMAPT
SCHEMBL9181312 0.69 KMT2A (0.49) HSD17B10MAPK1GSK3BMAPTALDH1A1
SCHEMBL26259561 0.68 PIK3CD (0.61) HSD17B10MAPK1IMPDH2HTR6MAPK14
SCHEMBL29182639 0.68 CA9 (0.54) MAPK14CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL30708901 0.67 NOTUM (0.63) HSD17B10MAPK1IMPDH2MAPK14NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 HSD17B10 1409/4885MAPK1 3564/4885IMPDH2 45/4885

“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.