SCHEMBL4096431

SCHEMBL4096431

CC(C)(C)c1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ADORA2A P29274 1/20 0.39
DHFR P00374 3/20 0.38
MAP4K4 O95819 3/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
GAK O14976 1/20 0.37
SCN9A Q15858 1/20 0.35
NPC1 O15118 2/20 0.34
NOS1 P29475 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL4101254 0.81 DHFR (0.47) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4112813 0.79 ADORA2A (0.54) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4109798 0.78 MAP4K4 (0.45) MAP4K4GAK
SCHEMBL4101030 0.77 DHFR (0.41) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL3602585 0.77 ALDH1A1 (0.39) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4526710 0.77 ALDH1A1 (0.41) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4101985 0.77 ADORA2A (0.39) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL3600529 0.77 DHFR (0.44) KDM4EADORA2ADHFRMAP4K4RAB9A
SCHEMBL4101447 0.76 ADORA2A (0.48) KDM4EADORA2ADHFRRAB9ASCN9A
SCHEMBL12228875 0.75 ALDH1A1 (0.43) KDM4ERAB9AALDH1A1ALOX5NPC1

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-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

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 KDM4E 2414/4885ADORA2A 165/4885DHFR 145/4885

“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.