SCHEMBL704772

SCHEMBL704772

CS(=O)(=O)N1CCC(Nc2n[nH]c3c2nc(-c2c(F)cccc2F)c2cc(C(N)=O)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.44
CDK1 P06493 7/20 0.44
CDK4 P11802 6/20 0.44
CCND1 P24385 6/20 0.44
MAPK14 Q16539 1/20 0.42
CNR1 P21554 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
TDO2 P48775 1/20 0.38
CCNE1 P24864 5/20 0.37
SYK P43405 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL31448368 1.00 CDK2 (0.44) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL702162 0.93 CDK1 (0.36) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL703570 0.93 MAPK14 (0.42) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL708407 0.93 MAPK14 (0.43) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL703153 0.92 CSNK1E (0.38) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL2680427 0.92 MAPK14 (0.41) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL2680449 0.91 MAPK14 (0.43) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL702607 0.91 CNR1 (0.42) CDK2CDK1CDK4CCND1CNR1
SCHEMBL705987 0.89 MAPK14 (0.41) CDK2CDK1CDK4CCND1MAPK14
SCHEMBL703045 0.88 MAPK14 (0.51) CDK2CDK1CDK4CCND1MAPK14

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 10 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 claimed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US claimed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US claimed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP claimed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO claimed
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 601/4885CDK4 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.