SCHEMBL2680449

SCHEMBL2680449

COC(=O)c1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(C)(=O)=O)CC3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
CDK2 P24941 13/20 0.41
CDK1 P06493 10/20 0.41
CDK4 P11802 9/20 0.41
CCND1 P24385 9/20 0.41
CNR1 P21554 1/20 0.39
TDO2 P48775 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CCNE1 P24864 4/20 0.37
CDK5 Q00535 2/20 0.37
CASK O14936 1/20 0.37
ROCK2 O75116 1/20 0.37
CDKL5 O76039 1/20 0.37
STK10 O94804 1/20 0.37
CDK14 O94921 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
MAK P20794 1/20 0.37
CDK11B P21127 1/20 0.37

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
SCHEMBL708407 0.92 MAPK14 (0.43) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL704772 0.91 CDK2 (0.44) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL31448368 0.91 CDK2 (0.44) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL703570 0.89 MAPK14 (0.42) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL705987 0.88 MAPK14 (0.41) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL703045 0.88 MAPK14 (0.51) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL15911533 0.88 MAPK14 (0.42) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL2680427 0.88 MAPK14 (0.41) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL702868 0.86 MAPK14 (0.46) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL698984 0.86 MAPK14 (0.43) MAPK14CDK2CDK1CDK4CCND1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4041/4885CDK2 968/4885CDK1 601/4885

“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.