SCHEMBL704246

SCHEMBL704246

Fc1cccc(F)c1-c1nc2cn[nH]c2c2ccc(I)cc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
NOS1 P29475 1/20 0.35
PTGES O14684 6/20 0.33
TRPA1 O75762 1/20 0.33
METAP2 P50579 1/20 0.31
HTR5A P47898 1/20 0.31
F7 P08709 1/20 0.30
F3 P13726 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
SCHEMBL709682 0.87 METAP2 (0.44) PTGESTRPA1METAP2HTR5A
SCHEMBL705606 0.84 METAP2 (0.39) NOS1PTGESTRPA1METAP2F7
SCHEMBL708360 0.81 CCNE2 (0.36) PTGESTRPA1METAP2
SCHEMBL703083 0.75 PTGES (0.37) DYRK1APTGES
SCHEMBL703544 0.66 MAPK14 (0.35) DYRK1A
SCHEMBL2680621 0.65 MAPK14 (0.35) DYRK1A
SCHEMBL2680500 0.61 PTGES (0.38) PTGESMETAP2
SCHEMBL31722116 0.60 NOS1 (0.50) NOS1TRPA1
SCHEMBL3519434 0.60 NOS1 (0.59) NOS1TRPA1
SCHEMBL20112865 0.58 NOS1 (0.46) NOS1TRPA1METAP2

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 DYRK1A 4760/4885NOS1 459/4885PTGES 3913/4885

“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.