SCHEMBL5203671

SCHEMBL5203671

Cc1cccc(-c2nc(N)sc2-c2ccncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TGFBR1 P36897 4/20 0.46
KDM4E B2RXH2 3/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL5200236 0.84 MAPK14 (0.50) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL6280916 0.83 MAPK14 (0.67) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL4121990 0.82 GRM5 (0.57) ALDH1A1MAPTTGFBR1KDM4ECYP1A2
SCHEMBL5818242 0.80 MAPK14 (0.47) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL3888126 0.77 MAPK14 (0.70) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL6840529 0.76 KMO (0.51) MAPK14CYP2D6
SCHEMBL3896452 0.76 MAPK14 (0.70) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL3894683 0.76 ALDH1A1 (0.56) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL18057150 0.75 MAPK14 (0.69) MAPK14ALDH1A1MAPTLMNAMAPK1
SCHEMBL5200288 0.74 ADORA1 (0.56) MAPK14MAPTMAPK1

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 14/4885ALDH1A1 2596/4885MAPT 889/4885

“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.