SCHEMBL2679634

SCHEMBL2679634

COC(=O)c1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(C)(=O)=O)CC3)nn(COCC[Si](C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.35
CDK1 P06493 7/20 0.35
CDK4 P11802 7/20 0.35
CCND1 P24385 7/20 0.35
KLKB1 P03952 1/20 0.34
TDO2 P48775 1/20 0.33
BDKRB1 P46663 1/20 0.33
MAPK14 Q16539 1/20 0.33
CCNE1 P24864 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.32
IRAK1 P51617 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGER3 P43115 1/20 0.31

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
SCHEMBL15911490 0.94 CDK2 (0.35) CDK2CDK1CDK4CCND1TDO2
SCHEMBL707616 0.90 MAPK14 (0.40) CDK2CDK1CDK4CCND1TDO2
SCHEMBL2680003 0.89 CDK2 (0.35) CDK2CDK1CDK4CCND1KLKB1
SCHEMBL698700 0.89 CDK2 (0.34) CDK2CDK1CDK4CCND1TDO2
SCHEMBL2679642 0.89 CDK2 (0.36) CDK2CDK1CDK4CCND1TDO2
SCHEMBL702499 0.88 CDK2 (0.34) CDK2CDK1CDK4CCND1TDO2
SCHEMBL706921 0.87 IRAK4 (0.38) CDK2CDK1CDK4CCND1TDO2
SCHEMBL2680354 0.87 CDK1 (0.33) CDK2CDK1CDK4CCND1TDO2
SCHEMBL2680353 0.87 CDK1 (0.33) CDK2CDK1CDK4CCND1TDO2
SCHEMBL707394 0.86 NPC1 (0.35)

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 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.