SCHEMBL694554

SCHEMBL694554

O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(I)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.71
NPC1 O15118 2/20 0.66
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
USP2 O75604 1/20 0.46
POLB P06746 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 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
SCHEMBL543706 0.86 GSK3B (0.75) GSK3BNPC1CA12CA9KDM4E
SCHEMBL30546567 0.86 GSK3B (0.75) GSK3BNPC1CA12CA9KDM4E
SCHEMBL1906596 0.85 GSK3B (0.73) GSK3BNPC1CA12CA9KDM4E
Methane SCHEMBL11813940 0.84 GSK3B (0.73) GSK3BNPC1CA12CA9KDM4E
SCHEMBL14711680 0.83 GSK3B (1.00) GSK3BNPC1CA12CA9KDM4E
SCHEMBL696173 0.83 GSK3B (0.71) GSK3BNPC1CA12CA9KDM4E
SCHEMBL29236638 0.81 GSK3B (0.68) GSK3BNPC1CA12CA9KDM4E
SCHEMBL29236796 0.80 GSK3B (0.66) GSK3BNPC1CA12CA9KDM4E
SCHEMBL1609155 0.80 NPC1 (1.00) GSK3BNPC1KDM4EALDH1A1RAB9A
SCHEMBL29236547 0.80 GSK3B (0.66) GSK3BNPC1CA12CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS GSK3B 2594/4885NPC1 326/4885CA12 1607/4885

“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.