SCHEMBL5111443

SCHEMBL5111443

COCCNc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.45
IP6K1 Q92551 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
PDE5A O76074 1/20 0.37
HTR2A P28223 1/20 0.37
CLK4 Q9HAZ1 3/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL5122262 0.88 TP53 (0.38) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL5109456 0.85 IP6K1 (0.45) KCNH3IP6K1ALDH1A1KDM4EGAA
SCHEMBL14140290 0.85 SYK (0.36) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL5120988 0.84 KCNH3 (0.46) KCNH3IP6K1ALDH1A1KDM4EGAA
SCHEMBL5115983 0.84 TLR8 (0.37) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL5115971 0.84 MAPT (0.46) KCNH3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5112291 0.82 SYK (0.36) ALDH1A1KDM4EHPGDLMNATLR8
SCHEMBL5114013 0.82 LIPC (0.36) TLR8TLR7PDE5ASYKAURKB
SCHEMBL1791609 0.81 SYK (0.49) MAPTSYKAURKB
SCHEMBL4525792 0.80 ACHE (0.40) KCNH3IP6K1ALDH1A1KDM4EGAA

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP KCNH3 2651/4885IP6K1 2034/4885ALDH1A1 1142/4885

“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.