SCHEMBL705606

SCHEMBL705606

Fc1cccc(F)c1-c1nc2cn[nH]c2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.39
PTGES O14684 8/20 0.39
JAK2 O60674 1/20 0.39
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
TRPA1 O75762 2/20 0.35
NOS1 P29475 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 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 0.86 METAP2 (0.44) METAP2PTGESJAK2TRPA1
SCHEMBL704246 0.84 DYRK1A (0.37) METAP2PTGESTRPA1NOS1F7
SCHEMBL708360 0.81 CCNE2 (0.36) METAP2PTGESJAK2MAPK10RIPK1
SCHEMBL5741343 0.71 PTGES (0.40) PTGESJAK2MAPK10ADORA2A
SCHEMBL702457 0.71 PTGES (0.40) PTGESJAK2ALDH1A1PARP1
SCHEMBL31722116 0.66 NOS1 (0.50) TRPA1NOS1HSD17B10TDP1
SCHEMBL3519434 0.65 NOS1 (0.59) MAPK10RIPK1TRPA1NOS1MAPK1
SCHEMBL694559 0.65 KDM4E (0.53) METAP2NOS1MAPK1ALDH1A1PARP1
SCHEMBL5789496 0.65 KDM4E (0.53) PTGESJAK2ALDH1A1ADORA2A
SCHEMBL30345223 0.64 GPR3 (0.52) METAP2NOS1MAPK1ALDH1A1PARP1

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 4315/4885PTGES 3913/4885JAK2 992/4885

“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.