SCHEMBL4475376

SCHEMBL4475376

C[C@@H](CO)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
MAPK13 O15264 6/20 0.41
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
KCNH2 Q12809 1/20 0.39
KCNH3 Q9ULD8 2/20 0.39
MAT2A P31153 1/20 0.39
GLA P06280 1/20 0.37
NPR1 P16066 1/20 0.34
DHODH Q02127 2/20 0.34
DHFR P00374 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
DGAT2 Q96PD7 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4482825 0.94 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4473503 0.94 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14434536 0.93 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065253 0.89 MAT2A (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065579 0.89 MAT2A (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065255 0.89 MAT2A (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3216490 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4473486 0.84 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4470456 0.84 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3223046 0.84 SCN9A (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP claimed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 US claimed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 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-20060293348-A1 Novel compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK13 43/4885MAPK12 85/4885

“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.