SCHEMBL825989

SCHEMBL825989

CCOCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)CC)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM4 Q14833 2/20 0.37
TP53 P04637 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL826211 0.95 GHSR (0.41) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL825739 0.95 GHSR (0.41) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL826437 0.93 GHSR (0.41) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL823644 0.91 NPC1 (0.42) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL823749 0.91 NPC1 (0.45) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL826238 0.90 PDE4A (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL826405 0.89 NPC1 (0.40) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL826453 0.85 PDE4A (0.38) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL826031 0.83 GHSR (0.41) GHSRNPC1RAB9AMAPTALDH1A1
SCHEMBL826159 0.83 PDE4A (0.38) RAB9AMAPTALDH1A1MEN1KMT2A

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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP GHSR 4810/4885NPC1 3135/4885RAB9A 3030/4885

“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.