SCHEMBL698566

SCHEMBL698566

N#Cc1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(N)(=O)=O)CC3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MCHR1 Q99705 1/20 0.36
GPR6 P46095 5/20 0.36
IRAK4 Q9NWZ3 5/20 0.36
MAPK14 Q16539 1/20 0.35
CCR6 P51684 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
ALK Q9UM73 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK7 P50613 1/20 0.33

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
SCHEMBL703800 0.93 IRAK4 (0.44) JAK2JAK1MCHR1GPR6IRAK4
SCHEMBL703349 0.93 IRAK4 (0.44) JAK2JAK1MCHR1GPR6IRAK4
SCHEMBL703968 0.92 JAK2 (0.38) JAK2JAK1MCHR1GPR6IRAK4
SCHEMBL700239 0.89 MAPK14 (0.42) JAK2GPR6MAPK14CNR1CDK1
Trifluoroacetic Acid SCHEMBL2679822 0.87 GPR6 (0.44) GPR6IRAK4MAPK14CCNT1CDK1
SCHEMBL699957 0.86 MAPK14 (0.36) MAPK14CNR1CDK1CDK4CCND1
SCHEMBL700496 0.85 MAPK14 (0.35) MCHR1MAPK14CNR1CCNT1CDK1
SCHEMBL706896 0.85 MAPK14 (0.43) IRAK4MAPK14CNR1CNR2CCNT1
SCHEMBL2680505 0.84 MAPK14 (0.34) MAPK14CNR1CDK1CDK4CCND1
SCHEMBL2680503 0.84 MAPK14 (0.34) MAPK14CNR1CDK1CDK4CCND1

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 10 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 claimed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US claimed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US claimed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP claimed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO claimed
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 JAK2 992/4885JAK1 2231/4885MCHR1 772/4885

“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.