SCHEMBL2679642

SCHEMBL2679642

C[Si](C)(C)CCOCn1nc(NC2CCN(S(C)(=O)=O)CC2)c2nc(-c3c(F)cccc3F)c3ccccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.36
CDK1 P06493 5/20 0.36
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
CCNE1 P24864 4/20 0.36
CCNB1 P14635 3/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
MAPK14 Q16539 1/20 0.35
NSD2 O96028 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CARM1 Q86X55 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
JAK2 O60674 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
SCHEMBL703917 0.94 CCND1 (0.32) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL707616 0.93 MAPK14 (0.40) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL698700 0.90 CDK2 (0.34) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL702499 0.90 CDK2 (0.34) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL15911490 0.89 CDK2 (0.35) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL706921 0.89 IRAK4 (0.38) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL2679634 0.89 CDK2 (0.35) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL2680353 0.88 CDK1 (0.33) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL2680354 0.88 CDK1 (0.33) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL2680076 0.84 CNR1 (0.30)

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 3 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

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 CDK2 968/4885CDK1 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.