SCHEMBL3948600

SCHEMBL3948600

COc1cc2ncnc(Nc3nc4ccc([N+](=O)[O-])cc4s3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.66
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
RIPK1 Q13546 1/20 0.50
DYRK1A Q13627 1/20 0.50
EGFR P00533 9/20 0.48
KDR P35968 2/20 0.48
MAPK1 P28482 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
RET P07949 1/20 0.47
CLK1 P49759 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LCK P06239 2/20 0.47

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
SCHEMBL4590506 0.84 KDR (0.60) ABCG2EGFRKDRAURKAAURKB
SCHEMBL5025796 0.80 MAPT (0.61) ABCG2MAPTALDH1A1HTTLMNA
SCHEMBL5473767 0.80 ABCG2 (1.00) ABCG2EGFRKDRRETCLK1
Hydrochloric Acid SCHEMBL5478012 0.79 ABCG2 (0.98) ABCG2EGFRKDRRETCLK1
SCHEMBL27748217 0.78 ABCG2 (0.72) ABCG2MAPTALDH1A1HTTEGFR
SCHEMBL371602 0.77 ABCG2 (0.71) ABCG2MAPTALDH1A1HTTEGFR
Hydrochloric Acid SCHEMBL6786294 0.77 ABCG2 (0.71) ABCG2MAPTALDH1A1HTTEGFR
SCHEMBL5653661 0.77 ABCG2 (0.73) ABCG2MAPTALDH1A1HTTEGFR
SCHEMBL2099212 0.77 ABCG2 (1.00) ABCG2MAPTALDH1A1LMNAKMT2A
SCHEMBL5769764 0.76 BRAF (0.51) ABCG2DYRK1AEGFRKDRAURKA

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-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 ABCG2 785/4885MAPT 3499/4885ALDH1A1 2546/4885

“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.