SCHEMBL4519916

SCHEMBL4519916

Nc1nc(Nc2ccc3c(c2)OCO3)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
CLK4 Q9HAZ1 3/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
MAPK1 P28482 3/20 0.43
CYP2C19 P33261 3/20 0.43
USP2 O75604 2/20 0.43

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
SCHEMBL4531381 0.84 MKNK2 (0.53) KMT2AMEN1MAPTHTTNOD2
SCHEMBL4522493 0.82 ADORA3 (0.52) KMT2AMEN1MAPTHTTNOD2
SCHEMBL4116891 0.79 MKNK2 (0.53) KMT2AMEN1MAPTADORA2AHSD17B10
SCHEMBL3934220 0.74 PDE4A (0.48) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL6001206 0.73 KMT2A (0.54) KMT2AMEN1MAPTHTTNOD2
SCHEMBL6001170 0.70 LMNA (0.77) KMT2AMEN1MAPTHTTNOD2
SCHEMBL4525416 0.70 MAP4K4 (0.50) ADORA2AKDM4E
SCHEMBL4524470 0.70 TLR8 (0.52)
SCHEMBL4528583 0.69 MAP4K4 (0.49) ADORA2AADORA1ADORA3TP53ALOX5
SCHEMBL6001965 0.69 ACP1 (0.61) KMT2AMEN1MAPTHTTNOD2

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-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-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 ULK1 3484/4885KMT2A 4257/4885MEN1 4755/4885

“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.