SCHEMBL826405

SCHEMBL826405

CCC(=O)Nc1ccc(-c2ccc3nc(N)nc(OCCOC(C)C)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GHSR Q92847 1/20 0.38
GRM4 Q14833 2/20 0.38
PTPN1 P18031 1/20 0.38
GAA P10253 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 2/20 0.35
MAP4K4 O95819 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL826115 0.90 GRM4 (0.39) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL823644 0.89 NPC1 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL825989 0.89 GHSR (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL826437 0.88 GHSR (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL823749 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL826211 0.86 GHSR (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL825739 0.86 GHSR (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL826887 0.85 TLR8 (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4527613 0.81 SLC2A1 (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3617717 0.81 MPO (0.35) MAPTKDM4EMAP4K4

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 NPC1 3135/4885RAB9A 3030/4885MEN1 4807/4885

“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.