SCHEMBL700239

SCHEMBL700239

NS(=O)(=O)N1CCC(Nc2n[nH]c3c2nc(-c2c(F)cccc2F)c2cc(F)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
MAPK8 P45983 1/20 0.39
ENPP1 P22413 4/20 0.38
MAP2K4 P45985 5/20 0.36
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
MAP2K7 O14733 2/20 0.35
GPR6 P46095 1/20 0.35
PAK1 Q13153 1/20 0.35
TDO2 P48775 1/20 0.35
JAK2 O60674 2/20 0.34
CNR1 P21554 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL703045 0.92 MAPK14 (0.51) MAPK14MAPK8MAP2K4CDK1CDK4
SCHEMBL699957 0.90 MAPK14 (0.36) MAPK14MAPK8ENPP1CDK1CDK4
SCHEMBL698566 0.89 JAK2 (0.39) MAPK14CDK1CDK4CCND1CDK2
SCHEMBL700496 0.89 MAPK14 (0.35) MAPK14MAPK8ENPP1CDK1CDK4
SCHEMBL2680505 0.88 MAPK14 (0.34) MAPK14MAPK8ENPP1CDK1CDK4
SCHEMBL2680503 0.88 MAPK14 (0.34) MAPK14MAPK8ENPP1CDK1CDK4
SCHEMBL699082 0.88 MAPK14 (0.34) MAPK14MAPK8ENPP1CDK1CDK4
SCHEMBL702868 0.83 MAPK14 (0.46) MAPK14CDK1CDK4CCND1CDK2
SCHEMBL31448368 0.82 CDK2 (0.44) MAPK14CDK1CDK4CCND1CDK2
SCHEMBL704772 0.82 CDK2 (0.44) MAPK14CDK1CDK4CCND1CDK2

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 MAPK14 4041/4885MAPK8 4023/4885ENPP1 4718/4885

“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.