SCHEMBL4101378

SCHEMBL4101378

CCCc1nc(N)nc2ccc(-c3cccc(C(=O)OCC)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 1/20 0.44
BRAF P15056 1/20 0.43
MAP4K4 O95819 2/20 0.41
DHFR P00374 2/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL4842810 0.92 HSP90AA1 (0.42) NPC1RAB9AHSP90AA1BRAFTP53
SCHEMBL4095683 0.91 DHFR (0.51) NPC1RAB9AMAP4K4DHFR
SCHEMBL4110201 0.88 HSP90AA1 (0.46) NPC1RAB9AHSP90AA1DHFRPOLB
SCHEMBL4112827 0.88 MAP4K4 (0.41) MAP4K4DHFRHPGD
SCHEMBL4101142 0.87 MAP4K4 (0.44) MAP4K4DHFRPDE2A
SCHEMBL4107011 0.87 NPC1 (0.47) NPC1RAB9ADHFRTP53PDE2A
SCHEMBL4097042 0.84 MAP4K4 (0.43) MAP4K4DHFR
SCHEMBL4101917 0.84 NPC1 (0.50) NPC1RAB9ATP53HPGDPDE2A
SCHEMBL4847011 0.83 MAP4K4 (0.41) MAP4K4DHFR
SCHEMBL4107035 0.83 HPGD (0.46) NPC1RAB9AMAP4K4HPGD

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD NPC1 1907/4885RAB9A 3470/4885HSP90AA1 4742/4885

“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.