SCHEMBL4467013

SCHEMBL4467013

O=Cc1nc(-c2ccncc2)c(-c2ccc(F)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
MAPK11 Q15759 2/20 0.54
MAPK13 O15264 1/20 0.54
GCGR P47871 1/20 0.54
MAPK12 P53778 1/20 0.54
EGFR P00533 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.46
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.44

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
SCHEMBL4477244 1.00 MAPK14 (0.58) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL1387242 0.78 MAPK14 (0.64) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6749396 0.78 MAPK14 (0.64) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL1387350 0.77 MAPK14 (0.71) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL1387279 0.77 MAPK14 (0.71) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL5504385 0.76 NR4A2 (0.64) MAPK14MAPK11MAPK13MAPK12PTGS2
SCHEMBL1387186 0.75 MAPK14 (0.71) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6752467 0.73 MAPK14 (0.59) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6752468 0.73 MAPK14 (0.59) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL19864312 0.73 MAPK14 (0.73) MAPK14MAPK11MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479501-B2 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2009-01-20 US disclosed
US-20050090501-A1 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2005-04-28 US disclosed
EP-1140916-B1 HETEROARYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2002-11-13 EP disclosed
EP-1140916-A1 HETEROARYL-CYCLIC ACETALS Aventis Pharma Limited (GB) 2001-10-10 EP disclosed
WO-2000035911-A1 HETEROARYL-CYCLIC ACETALS AVENTIS PHARMA LIMITED (GB) 2000-06-22 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-20050090501-A1 Heteroaryl-cyclic acetals TNF, TNFRSF1A, CD40 MAPK14 3415/4885MAPK11 2854/4885MAPK13 2987/4885

“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.