SCHEMBL3602585

SCHEMBL3602585

CSc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADORA2A P29274 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 3/20 0.38
MAP4K4 O95819 3/20 0.38
RAB9A P51151 2/20 0.37
ALOX5 P09917 1/20 0.37
GAK O14976 1/20 0.37
NOS1 P29475 1/20 0.36
CYP1A2 P05177 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4101254 0.81 DHFR (0.47) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL4101030 0.80 DHFR (0.41) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL4112813 0.79 ADORA2A (0.54) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL3603734 0.78 KDM4E (0.48) ALDH1A1KDM4EDHFRRAB9AGAK
SCHEMBL4101985 0.77 ADORA2A (0.39) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL4526710 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL3600529 0.77 DHFR (0.44) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL4096431 0.77 KDM4E (0.42) ALDH1A1KDM4EADORA2ADHFRMAP4K4
SCHEMBL4107626 0.77 ADORA2A (0.43) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4101447 0.76 ADORA2A (0.48) KDM4EADORA2ADHFRRAB9ANOS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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 (2 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK ALDH1A1 1288/4885KDM4E 2887/4885ADORA2A 301/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP ALDH1A1 1142/4885KDM4E 3976/4885ADORA2A 260/4885

“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.