SCHEMBL702162

SCHEMBL702162

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CDK2 P24941 3/20 0.36
MAPK14 Q16539 1/20 0.36
CCNT1 O60563 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
CHEK1 O14757 2/20 0.35
RET P07949 2/20 0.35
FLT3 P36888 2/20 0.35
SYK P43405 2/20 0.35
RPS6KA3 P51812 2/20 0.35
MAPK10 P53779 2/20 0.35
STK4 Q13043 2/20 0.35
STK3 Q13188 2/20 0.35
MARK2 Q7KZI7 2/20 0.35
TBK1 Q9UHD2 2/20 0.35

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
SCHEMBL704772 0.93 CDK2 (0.44) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL31448368 0.93 CDK2 (0.44) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL703153 0.91 CSNK1E (0.38) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL702607 0.90 CNR1 (0.42) CDK1CDK4CCND1CDK2CNR1
SCHEMBL703570 0.86 MAPK14 (0.42) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL708407 0.86 MAPK14 (0.43) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL706353 0.86 MAPK14 (0.36) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL704732 0.85 MAPK14 (0.35) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL2680606 0.85 MAPK14 (0.35) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL15911491 0.85 MAPK14 (0.35) CDK1CDK4CCND1CDK2MAPK14

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 CDK1 601/4885CDK4 1077/4885CCND1 836/4885

“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.