SCHEMBL4526335

SCHEMBL4526335

COc1ccc(-c2cnc3c(=O)[nH]c(NC(C)=O)nc3c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 5/20 0.48
AURKB Q96GD4 4/20 0.48
PIK3CG P48736 3/20 0.48
ADORA3 P0DMS8 2/20 0.47
MAPK1 P28482 3/20 0.47
YES1 P07947 2/20 0.47
HIPK1 Q86Z02 1/20 0.47
PIK3CA P42336 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
KIT P10721 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL4107545 0.82 ADORA3 (0.52) PIK3CGADORA3MAPK1PIK3CAKDM4E
SCHEMBL4527415 0.80 PDGFRB (0.51) GAKPDGFRBPDGFRA
SCHEMBL21403473 0.74 KDM4E (0.56) ADORA3KDM4EGAADYRK1ADYRK1B
SCHEMBL4526080 0.74 GAK (0.48) GAKAURKBPIK3CGADORA3MAPK1
SCHEMBL4107454 0.74 KMO (0.47) ADORA3MAPK1PIK3CAKDM4EGAA
SCHEMBL4063853 0.73 ALDH1A1 (0.50) AURKBMAPK1YES1KITDYRK1A
SCHEMBL14097390 0.67 SMN1; SMN2 (0.54) AURKBMAPK1YES1HIPK1KDM4E
SCHEMBL4116861 0.67 RORC (0.47) KDM4EGAAMEN1KMT2APOLB
SCHEMBL4512809 0.67 TGFBR1 (0.44) ADORA3KDM4EGAAMEN1KMT2A
SCHEMBL1933460 0.65 AURKB (1.00) GAKAURKBMAPK1YES1HIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO GAK 1134/4885AURKB 1644/4885PIK3CG 547/4885

“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.