SCHEMBL4097074

SCHEMBL4097074

Nc1nc(C2CCCC2)c2nc(Cl)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.38
HRH2 P25021 3/20 0.38
BACE1 P56817 1/20 0.38
HRH4 Q9H3N8 4/20 0.34
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
DHFR P00374 2/20 0.32
MAP4K4 O95819 1/20 0.32
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL4103474 0.98 HRH3 (0.40) HRH3HRH2BACE1HRH4KCNH2
SCHEMBL4095470 0.94 ACHE (0.35) HRH3HRH2DHFRMAP4K4ACHE
SCHEMBL4573345 0.77 FABP4 (0.33) KDM4EMAPTACHE
SCHEMBL4112242 0.75 PDE5A (0.42) HRH3HRH2KCNH2KDM4EDHFR
SCHEMBL4516927 0.74 CHUK (0.41) KDM4EMAP4K4
SCHEMBL4106778 0.74 PDE5A (0.44) HRH3HRH2KCNH2KDM4EDHFR
SCHEMBL29439675 0.72 DHFR (0.53) DHFRMAP4K4
SCHEMBL3922711 0.72 DHFR (0.53) DHFRMAP4K4
SCHEMBL4100981 0.69 DHFR (0.51) MAPTDHFR
SCHEMBL826002 0.69 DHFR (0.37) DHFRMAP4K4

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-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 HRH3 1351/4885HRH2 1215/4885BACE1 2966/4885

“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.