SCHEMBL695749

SCHEMBL695749

C[Si](C)(C)CCOCn1nc2c(nc(-c3c(F)cccc3F)c3cc(F)ccc32)c1NC1CCN(S(N)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
ENPP1 P22413 6/20 0.33
MAPK14 Q16539 1/20 0.32
DGAT1 O75907 1/20 0.32
TDO2 P48775 1/20 0.31
ENPP3 O14638 1/20 0.31
CDK1 P06493 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CDK2 P24941 2/20 0.31
IDO1 P14902 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
SCHEMBL694678 0.92 MAPK8 (0.31) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL694684 0.92 MAPK8 (0.31) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL695508 0.91 ALK (0.32) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL694998 0.88 OPRM1 (0.34) MAPK8ENPP1MAPK14DGAT1CDK2
SCHEMBL694943 0.87 MAPK14 (0.36) MAPK8MAPK14DGAT1TDO2
SCHEMBL694576 0.86 CDK2 (0.33) MAPK8MAPK14TDO2CDK1CDK4
SCHEMBL695950 0.86 CDK2 (0.33) MAPK8MAPK14TDO2CDK1CDK4
SCHEMBL2680399 0.85 DNMT3A (0.40)
SCHEMBL694055 0.85 CDK2 (0.35) MAPK14TDO2CDK1CDK4CCND1
SCHEMBL695339 0.85 CDK2 (0.33) MAPK8MAPK14TDO2CDK1CDK4

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

“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.