SCHEMBL695950

SCHEMBL695950

C=Cc1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(C)(=O)=O)CC3)n(COCC[Si](C)(C)C)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.33
CDK1 P06493 4/20 0.33
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
MAPK14 Q16539 1/20 0.32
CARM1 Q86X55 1/20 0.32
CCNE1 P24864 5/20 0.32
CCNB1 P14635 2/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 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
MAPK8 P45983 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL694576 0.90 CDK2 (0.33) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL694684 0.89 MAPK8 (0.31) CDK2CDK1CDK4CCND1MAPK8
SCHEMBL695339 0.88 CDK2 (0.33) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL694055 0.88 CDK2 (0.35) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL2680003 0.88 CDK2 (0.35) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL695327 0.88 CDK1 (0.33) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL700562 0.86 CDK2 (0.37) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL695749 0.86 MAPK8 (0.36) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL702499 0.84 CDK2 (0.34) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL694678 0.84 MAPK8 (0.31) CDK2CDK1CDK4CCND1MAPK8

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 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.