SCHEMBL5200331

SCHEMBL5200331

CCc1nc(-c2ccc(C)cc2)c(-c2ccnc(N)c2)s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.76
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
IKBKB O14920 1/20 0.46
MAPK13 O15264 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
EGFR P00533 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
FRK P42685 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46

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
SCHEMBL3889519 0.89 MAPK14 (0.67) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL2513403 0.89 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3894008 0.88 MAPK14 (0.78) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3887326 0.86 MAPK14 (1.00) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3888936 0.86 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3901832 0.85 MAPK14 (0.70) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3886326 0.82 MAPK14 (0.80) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3890066 0.81 MAPK14 (0.67) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3886294 0.81 MAPK14 (0.77) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3890138 0.81 MAPK14 (0.77) MAPK14MAPK1IKBKBMAPK13PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK14 14/4885MAPK1 1/4885KDM4E 1325/4885

“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.