SCHEMBL709682

SCHEMBL709682

Fc1ccc2c(c1)c(-c1c(F)cccc1F)nc1cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CYP1A2 P05177 2/20 0.36
PTGES O14684 5/20 0.34
TRPA1 O75762 1/20 0.34
DHODH Q02127 5/20 0.34
TGFBR1 P36897 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTR5A P47898 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
SCHEMBL704246 0.87 DYRK1A (0.37) METAP2PTGESTRPA1HTR5A
SCHEMBL705606 0.86 METAP2 (0.39) METAP2JAK2PTGESTRPA1
SCHEMBL708360 0.84 CCNE2 (0.36) METAP2JAK2JAK3PTGESTRPA1
SCHEMBL2680500 0.74 PTGES (0.38) METAP2JAK2JAK3CYP1A2PTGES
SCHEMBL5787010 0.62 ALDH1A1 (0.52) JAK3CYP1A2
SCHEMBL31722116 0.62 NOS1 (0.50) CYP1A2TRPA1
SCHEMBL3519434 0.62 NOS1 (0.59) CYP1A2TRPA1
SCHEMBL5785938 0.62 HTR1A (0.44) MAPK14
SCHEMBL703083 0.62 PTGES (0.37) JAK2PTGES
SCHEMBL4406287 0.60 MAPK14 (0.51) MAPK14

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 METAP2 4315/4885JAK2 992/4885JAK3 787/4885

“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.