SCHEMBL5769601

SCHEMBL5769601

COC(OC)c1nc(-c2ccc(F)cc2)c(-c2ccnc(SC)n2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.62
CSNK1D P48730 3/20 0.62
JAK3 P52333 1/20 0.62
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CSNK1E P49674 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
MAPK13 O15264 7/20 0.43
MAPK12 P53778 7/20 0.43
MAPK11 Q15759 7/20 0.43
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
ALOX5 P09917 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MATK P42679 1/20 0.38
FRK P42685 1/20 0.38

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
SCHEMBL4974887 0.77 MAPK14 (0.81) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL7670525 0.76 MAPK14 (0.62) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL5767827 0.76 MAPK14 (0.60) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL21621304 0.73 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL4584925 0.73 MAPK14 (0.61) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL6950701 0.72 MAPK14 (0.60) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL5771842 0.72 MAPK14 (0.58) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL4585060 0.72 MAPK14 (0.60) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL4583956 0.72 MAPK14 (0.57) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL4585443 0.72 MAPK14 (0.57) MAPK14CSNK1DJAK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885CSNK1D 621/4885JAK3 3275/4885

“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.