SCHEMBL4101745

SCHEMBL4101745

CCCc1nc(N)nc2ccc(-c3ccc(NC)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
MAPT P10636 2/20 0.38
MAP4K4 O95819 1/20 0.35
DHFR P00374 5/20 0.34
NLRP3 Q96P20 1/20 0.34
APP P05067 4/20 0.33
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 4/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4103286 0.85 SREBF1 (0.43) HEXAHEXBMAPTMAP4K4MEN1
SCHEMBL4102459 0.85 HEXA (0.36) HEXAHEXBMAP4K4DHFRNLRP3
SCHEMBL4102279 0.84 KMT2A (0.44) MAPTMEN1GLAGAAKMT2A
SCHEMBL4095651 0.84 DHFR (0.43) HEXAHEXBMAP4K4DHFRTLR8
SCHEMBL4102869 0.83 HEXA (0.39) HEXAHEXBMAP4K4DHFRNLRP3
SCHEMBL4103501 0.82 MPO (0.43) MAPTMAP4K4DHFRAPPTLR8
SCHEMBL4107851 0.82 HRH2 (0.51) HEXAHEXBMAPTDHFRTLR8
SCHEMBL4096087 0.82 RAB9A (0.45) HEXAHEXBMAPTDHFRTLR8
SCHEMBL4102118 0.82 DHFR (0.46) HEXAHEXBMAPTMAP4K4DHFR
SCHEMBL4106869 0.82 NPC1 (0.43) HEXAHEXBMAPTMAP4K4DHFR

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-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 HEXA 837/4885HEXB 595/4885MAPT 1752/4885

“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.