SCHEMBL4110201

SCHEMBL4110201

CCCc1nc(N)nc2ccc(-c3ccc(C(=O)OCC)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 1/20 0.40
POLB P06746 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PARP1 P09874 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL4109882 0.90 TLR8 (0.48) HSP90AA1DHFRLMNANPC1RAB9A
SCHEMBL4101378 0.88 NPC1 (0.44) HSP90AA1DHFRNPC1RAB9APOLB
SCHEMBL4100948 0.87 CA12 (0.39) HSP90AA1DHFRNPC1RAB9ATLR8
SCHEMBL4097666 0.86 TLR8 (0.43) DHFRNPC1RAB9ATLR8TLR7
SCHEMBL4115064 0.85 RARA (0.47) DHFRLMNACYP1A2CYP3A4MAOA
SCHEMBL4103588 0.83 DHFR (0.41) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL4109851 0.83 HSP90AA1 (0.43) HSP90AA1DHFRPOLBMEN1KMT2A
SCHEMBL4102240 0.82 DHFR (0.41) DHFRLMNANPC1RAB9ACA12
SCHEMBL4113263 0.81 RARA (0.52) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL4842810 0.81 HSP90AA1 (0.42) HSP90AA1NPC1RAB9ASMN1; SMN2

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-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
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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 HSP90AA1 4742/4885DHFR 145/4885LMNA 1233/4885

“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.