SCHEMBL2679710

SCHEMBL2679710

CN(C)S(=O)(=O)n1ncc2nc(-c3c(F)cccc3F)c3cc(C(=O)O)ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 11/20 0.40
CSNK2B P67870 11/20 0.40
HTR5A P47898 5/20 0.37
PTGER4 P35408 1/20 0.34
MAPK14 Q16539 2/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL9907523 0.68 HTR5A (0.69) CSNK2A2CSNK2BHTR5A
SCHEMBL2680048 0.68 TTR (0.43) CSNK2A2CSNK2BHTR5A
SCHEMBL9907629 0.68 HTR5A (0.71) CSNK2A2CSNK2BHTR5AMAPK14
SCHEMBL9907741 0.67 HTR5A (0.58) HTR5A
SCHEMBL12743670 0.67 CSNK2A2 (0.66) CSNK2A2CSNK2B
SCHEMBL9907597 0.66 TTR (0.45) CSNK2A2CSNK2BHTR5A
SCHEMBL9907684 0.66 HTR5A (0.53) CSNK2A2CSNK2BHTR5A
SCHEMBL9907642 0.66 HTR5A (0.57) CSNK2A2CSNK2BHTR5A
SCHEMBL9909272 0.66 HTR5A (0.74) HTR5A
SCHEMBL9907658 0.65 HTR5A (0.71) CSNK2A2CSNK2BHTR5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CSNK2A2 1606/4885CSNK2B 1346/4885HTR5A 1093/4885

“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.