SCHEMBL703153

SCHEMBL703153

NC(=O)c1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(=O)(=O)C4CC4)CC3)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.38
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
SYK P43405 1/20 0.35
MAPK14 Q16539 1/20 0.34
HTR5A P47898 4/20 0.34
AAK1 Q2M2I8 2/20 0.33
MAP2K7 O14733 2/20 0.33
MAP2K4 P45985 2/20 0.33
CCR6 P51684 1/20 0.33
PAK1 Q13153 1/20 0.33
ENPP1 P22413 1/20 0.32
CSNK2A1 P68400 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 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
SCHEMBL31448368 0.92 CDK2 (0.44) CDK1CDK4CCND1CDK2SYK
SCHEMBL704772 0.92 CDK2 (0.44) CDK1CDK4CCND1CDK2SYK
SCHEMBL702162 0.91 CDK1 (0.36) CDK1CDK4CCND1CDK2SYK
SCHEMBL702607 0.91 CNR1 (0.42) CDK1CDK4CCND1CDK2
SCHEMBL703570 0.85 MAPK14 (0.42) CDK1CDK4CCND1CDK2SYK
SCHEMBL703800 0.85 IRAK4 (0.44) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL708407 0.85 MAPK14 (0.43) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL2680427 0.84 MAPK14 (0.41) CDK1CDK4CCND1CDK2SYK
SCHEMBL2680449 0.83 MAPK14 (0.43) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL700239 0.82 MAPK14 (0.42) CDK1CDK4CCND1CDK2MAPK14

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 8 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

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 CSNK1E 892/4885CDK1 601/4885CDK4 1077/4885

“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.