Sugi Predict

Sugi Predict / Compounds / SCHEMBL700562

SCHEMBL700562

SCHEMBL700562

C[Si](C)(C)CCOCn1cc(-c2ccc3c(c2)c(-c2c(F)cccc2F)nc2c(NC4CCN(S(C)(=O)=O)CC4)n(COCC[Si](C)(C)C)nc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.37
▸ CDK1 P06493 13/20 0.37
▸ CCNE1 P24864 12/20 0.37
▸ CCNB1 P14635 11/20 0.37
▸ CDK4 P11802 10/20 0.37
▸ CCND1 P24385 10/20 0.37
▸ CCND3 P30281 8/20 0.37
▸ CDK6 Q00534 8/20 0.37
▸ IRAK1 P51617 4/20 0.36
▸ CCNB2 O95067 2/20 0.36
▸ CCNE2 O96020 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ CCNB3 Q8WWL7 2/20 0.36
▸ TDO2 P48775 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CDK7 P50613 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CCNH P51946 2/20 0.32

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 0.87 CDK2 (0.33) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL695379 0.87 MAPK14 (0.36) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL695950 0.86 CDK2 (0.33) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL695339 0.86 CDK2 (0.33) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL694055 0.86 CDK2 (0.35) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL695327 0.85 CDK1 (0.33) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL2680003 0.85 CDK2 (0.35) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL695749 0.83 MAPK8 (0.36) CDK2CDK1CDK4CCND1TDO2
SCHEMBL694678 0.81 MAPK8 (0.31) CDK2CDK1CDK4CCND1
SCHEMBL694684 0.81 MAPK8 (0.31) CDK2CDK1CDK4CCND1

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 601/4885CCNE1 597/4885

“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.