SCHEMBL698700

SCHEMBL698700

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.34
CCND1 P24385 8/20 0.34
CDK1 P06493 6/20 0.34
CDK4 P11802 5/20 0.34
MAPK14 Q16539 1/20 0.34
CARM1 Q86X55 1/20 0.33
TDO2 P48775 1/20 0.33
CCNE1 P24864 6/20 0.32
CDK6 Q00534 4/20 0.32
CCNB1 P14635 2/20 0.32
CCND3 P30281 1/20 0.32
PTPN1 P18031 1/20 0.32
IRAK1 P51617 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
PTGER3 P43115 1/20 0.31
MAPK8 P45983 1/20 0.31
CCR3 P51677 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 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
SCHEMBL707616 0.92 MAPK14 (0.40) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL2679642 0.90 CDK2 (0.36) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL15911490 0.90 CDK2 (0.35) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL2679634 0.89 CDK2 (0.35) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL702499 0.89 CDK2 (0.34) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL706921 0.88 IRAK4 (0.38) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL2680353 0.88 CDK1 (0.33) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL2680354 0.88 CDK1 (0.33) CDK2CCND1CDK1CDK4MAPK14
SCHEMBL703917 0.84 CCND1 (0.32) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL2680076 0.84 CNR1 (0.30) CNR1CNR2

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 968/4885CCND1 836/4885CDK1 601/4885

“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.