SCHEMBL708360

SCHEMBL708360

N#Cc1ccc2c(c1)c(-c1c(F)cccc1F)nc1cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
EGFR P00533 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
SRC P12931 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
CCNA1 P78396 1/20 0.36
PTK2 Q05397 1/20 0.36
CYP11B2 P19099 1/20 0.35
AR P10275 1/20 0.34
ITK Q08881 2/20 0.33
MAPK10 P53779 2/20 0.33
RIPK1 Q13546 2/20 0.33
PTGES O14684 1/20 0.32
TRPA1 O75762 1/20 0.32
SYK P43405 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL709682 0.84 METAP2 (0.44) PTGESTRPA1JAK2JAK3METAP2
SCHEMBL704246 0.81 DYRK1A (0.37) PTGESTRPA1METAP2
SCHEMBL705606 0.81 METAP2 (0.39) MAPK10RIPK1PTGESTRPA1JAK2
SCHEMBL706003 0.77 PTGES (0.35) ARITKPTGES
SCHEMBL694816 0.70 RIPK1 (0.39) CYP11B2ITKMAPK10RIPK1METAP2
SCHEMBL2680405 0.69 CASP1 (0.34) PIK3CDPIK3CAGRM5
SCHEMBL16936902 0.66 MAPK10 (0.42) CYP11B2ARITKMAPK10RIPK1
SCHEMBL30481668 0.65 MAPK10 (0.39) KDRITKMAPK10RIPK1METAP2
SCHEMBL14830830 0.65 MAPK10 (0.39) KDRITKMAPK10RIPK1METAP2
SCHEMBL19949863 0.64 TRPA1 (0.37) TRPA1

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 CCNE2 542/4885EGFR 3923/4885CDK1 601/4885

“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.