SCHEMBL4095764

SCHEMBL4095764

CCCc1nc(N)nc2ccc(-c3ccccc3NC=O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.38
TLR8 Q9NR97 5/20 0.34
DHFR P00374 4/20 0.34
PDE5A O76074 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL4102757 0.84 PDE5A (0.48) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL4108007 0.84 MPO (0.40) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL4105834 0.84 DHFR (0.34) TLR8DHFRTLR7HEXAHEXB
SCHEMBL4101657 0.81 MAP4K4 (0.42)
SCHEMBL4102459 0.80 HEXA (0.36) TLR8DHFRHEXAHEXB
SCHEMBL4112432 0.79 MAPT (0.49) MEN1POLBKMT2ASMN1; SMN2MAPT
SCHEMBL4108416 0.78 ADORA2A (0.42) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL4097702 0.78 TLR8 (0.42) TLR8DHFRTLR7PTPN1
SCHEMBL4097695 0.78 TLR8 (0.41) TLR8DHFRKDM4EALDH1A1APP
SCHEMBL4102859 0.78 CHRNA7 (0.40) TLR8DHFRTLR7HEXAHEXB

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 MEN1 4569/4885NPC1 1907/4885POLB 189/4885

“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.