SCHEMBL7991775

SCHEMBL7991775

CCOC(=O)c1nc(-c2ccncc2)[nH]c1-c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.59
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
GCGR P47871 4/20 0.52
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
TARBP2 Q15633 1/20 0.51
MAPK14 Q16539 7/20 0.50
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
RAF1 P04049 1/20 0.46
CDC7 O00311 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSNK1D P48730 2/20 0.45
CSNK1E P49674 2/20 0.45

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
SCHEMBL7988569 0.87 ALOX5 (0.48) ALOX5PKN1PKN2TARBP2KDM4E
SCHEMBL7995163 0.86 MMP13 (0.55) ALOX5MMP2MMP13MMP14TARBP2
SCHEMBL7991975 0.84 MAPK14 (0.49) ALOX5PKN1PKN2GCGRMAPK14
SCHEMBL7988441 0.83 AR (0.55) MMP2MMP13TARBP2MAPK14SMN1; SMN2
SCHEMBL7977738 0.83 MAPK14 (0.56) ALOX5GCGRMAPK14MAPK13MAPK12
SCHEMBL7992039 0.83 MAPK14 (0.56) ALOX5GCGRMAPK14MAPK13MAPK12
SCHEMBL28582964 0.83 TARBP2 (0.54) ALOX5TARBP2KDM4ESMN1; SMN2HSD17B10
SCHEMBL7995926 0.82 KDM4E (0.49) TARBP2MAPK14KDM4ETP53SMN1; SMN2
SCHEMBL7988152 0.82 SIRT2 (0.61) ALOX5TARBP2KDM4ETP53SMN1; SMN2
SCHEMBL7988588 0.80 PRMT5 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A ALOX5 3170/4885PKN1 2959/4885PKN2 2347/4885

“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.