SCHEMBL695508

SCHEMBL695508

C[Si](C)(C)CCOCn1nc2c(nc(-c3c(F)cccc3F)c3cc(C#N)ccc32)c1NC1CCN(S(N)(=O)=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
MAPK8 P45983 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
CDK6 Q00534 1/20 0.30
GPR6 P46095 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
SCHEMBL695749 0.91 MAPK8 (0.36) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL694678 0.88 MAPK8 (0.31) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL694684 0.88 MAPK8 (0.31) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL695339 0.88 CDK2 (0.33) MAPK8CDK1CDK4CCNB1CCND1
SCHEMBL695327 0.87 CDK1 (0.33) MAPK8CDK1CDK4CCNB1CCND1
SCHEMBL707355 0.84 CYP11B1 (0.34) JAK2JAK1IRAK4GPR119CCNT1
SCHEMBL706921 0.84 IRAK4 (0.38) ALKJAK2JAK1IRAK4GPR119
SCHEMBL694576 0.84 CDK2 (0.33) JAK2MAPK8CDK1CDK4CCNB1
SCHEMBL2680323 0.83 IRAK4 (0.38) JAK2JAK1IRAK4GPR119CCNT1
SCHEMBL695950 0.83 CDK2 (0.33) MAPK8CDK1CDK4CCNB1CCND1

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 ALK 1670/4885JAK2 992/4885JAK1 2231/4885

“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.