SCHEMBL706713

SCHEMBL706713

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.38
CNR2 P34972 8/20 0.38
GPR6 P46095 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
MEN1 O00255 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL707355 0.93 CYP11B1 (0.34) CNR1CNR2GPR6GPR119CCNT1
SCHEMBL706921 0.93 IRAK4 (0.38) GPR6GPR119CCNT1CDK1CDK4
SCHEMBL2680323 0.92 IRAK4 (0.38) GPR6GPR119CCNT1CDK1CDK4
SCHEMBL707394 0.88 NPC1 (0.35) CNR1CNR2
SCHEMBL707616 0.84 MAPK14 (0.40) GPR6CCNT1CDK1CDK4CCNB1
SCHEMBL695508 0.82 ALK (0.32) GPR6GPR119CCNT1CDK1CDK4
SCHEMBL2679642 0.82 CDK2 (0.36) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL703917 0.82 CCND1 (0.32) CNR1CNR2CCNT1CDK1CDK4
SCHEMBL702499 0.81 CDK2 (0.34) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL2680076 0.81 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 CNR1 77/4885CNR2 132/4885GPR6 2369/4885

“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.