SCHEMBL2680353

SCHEMBL2680353

C[Si](C)(C)CCOCn1nc(NC2CCN(S(C)(=O)=O)CC2)c2nc(-c3c(F)cccc3F)c3cc(/C=N/O)ccc3c21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.33
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
CDK2 P24941 3/20 0.33
MAPK14 Q16539 1/20 0.32
TDO2 P48775 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
CARM1 Q86X55 1/20 0.31
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30
IRAK1 P51617 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
SCHEMBL2680354 1.00 CDK1 (0.33) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL702499 0.92 CDK2 (0.34) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL707616 0.89 MAPK14 (0.40) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL698700 0.88 CDK2 (0.34) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL2679642 0.88 CDK2 (0.36) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL15911490 0.87 CDK2 (0.35) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL2679634 0.87 CDK2 (0.35) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL2680076 0.87 CNR1 (0.30)
SCHEMBL706921 0.86 IRAK4 (0.38) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL703917 0.82 CCND1 (0.32) CDK1CDK4CCND1CDK2CCNB1

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 CDK1 601/4885CDK4 1077/4885CCND1 836/4885

“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.