SCHEMBL707355

SCHEMBL707355

CCS(=O)(=O)N1CCC(Nc2nn(COCC[Si](C)(C)C)c3c2nc(-c2c(F)cccc2F)c2cc(C#N)ccc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IRAK4 Q9NWZ3 9/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MCHR1 Q99705 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HSD11B1 P28845 1/20 0.32
GPR6 P46095 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CDK7 P50613 2/20 0.31
CDK9 P50750 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
IRAK1 P51617 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CCNT1 O60563 1/20 0.30

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
SCHEMBL706921 0.95 IRAK4 (0.38) IRAK4JAK2JAK1MCHR1GPR119
SCHEMBL2680323 0.94 IRAK4 (0.38) CYP11B1CYP11B2IRAK4JAK2JAK1
SCHEMBL706713 0.93 CNR1 (0.38) IRAK4GPR119GPR6CNR1CNR2
SCHEMBL703917 0.89 CCND1 (0.32) IRAK4JAK1CNR1CNR2CCNT1
SCHEMBL2680076 0.88 CNR1 (0.30) CNR1CNR2
SCHEMBL707616 0.85 MAPK14 (0.40) GPR6CDK9IRAK1CCNT1CDK1
SCHEMBL695508 0.84 ALK (0.32) IRAK4JAK2JAK1GPR119GPR6
SCHEMBL2679642 0.84 CDK2 (0.36) JAK2IRAK1CDK1CDK4CCNB1
SCHEMBL702499 0.83 CDK2 (0.34) IRAK1CDK1CDK4CCNB1CCND1
SCHEMBL698700 0.83 CDK2 (0.34) CNR1CNR2CDK9IRAK1CCNT1

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 CYP11B1 28/4885CYP11B2 20/4885IRAK4 2788/4885

“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.