Sugi Predict

Sugi Predict / Compounds / SCHEMBL707616

SCHEMBL707616

SCHEMBL707616

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.40
▸ TDO2 P48775 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ CDK2 P24941 7/20 0.35
▸ CDK1 P06493 6/20 0.35
▸ CDK4 P11802 5/20 0.35
▸ CCND1 P24385 5/20 0.35
▸ GPR6 P46095 1/20 0.34
▸ CCNE1 P24864 3/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 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
SCHEMBL2679642 0.93 CDK2 (0.36) MAPK14TDO2MAPK8CDK2CDK1
SCHEMBL702499 0.92 CDK2 (0.34) MAPK14TDO2MAPK8CDK2CDK1
SCHEMBL698700 0.92 CDK2 (0.34) MAPK14TDO2MAPK8CDK2CDK1
SCHEMBL15911490 0.91 CDK2 (0.35) MAPK14TDO2CDK2CDK1CDK4
SCHEMBL706921 0.91 IRAK4 (0.38) MAPK14TDO2CDK2CDK1CDK4
SCHEMBL2679634 0.90 CDK2 (0.35) MAPK14TDO2CDK2CDK1CDK4
SCHEMBL2680353 0.89 CDK1 (0.33) MAPK14TDO2CDK2CDK1CDK4
SCHEMBL2680354 0.89 CDK1 (0.33) MAPK14TDO2CDK2CDK1CDK4
SCHEMBL703917 0.87 CCND1 (0.32) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL2680076 0.86 CNR1 (0.30) —

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 MAPK14 4041/4885TDO2 1403/4885MAPK8 4023/4885

“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.