SCHEMBL5114989

SCHEMBL5114989

CC(C)Nc1nc(NCC(F)(F)F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.44
NPR1 P16066 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV3 Q8NET8 2/20 0.33
MAPT P10636 2/20 0.33
PDE5A O76074 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PTGS2 P35354 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PTGS1 P23219 1/20 0.33
ADORA2A P29274 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32

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) MAP4K4TP53SMN1; SMN2MAPTPTGS2
SCHEMBL4573316 0.87 MAP4K4 (0.46) MAP4K4NPR1IRAK4TRPV3PDE5A
SCHEMBL14140290 0.85 SYK (0.36) MAP4K4TP53SMN1; SMN2MAPTPTGS2
SCHEMBL5112294 0.85 MAP4K4 (0.45) MAP4K4NPR1IRAK4TRPV3PDE5A
SCHEMBL4573891 0.83 APP (0.50) MAP4K4NPR1TP53SMN1; SMN2MAPT
SCHEMBL5120988 0.83 KCNH3 (0.46) MAP4K4NPR1MAPTPDE5ATLR8
SCHEMBL5115971 0.82 MAPT (0.46) TP53SMN1; SMN2MAPTPTGS2TLR8
SCHEMBL5109485 0.81 KCNH3 (0.53) MAP4K4IRAK4TP53MAPTPTGS2
SCHEMBL5116414 0.80 TP53 (0.37) MAP4K4TP53SMN1; SMN2TRPV3MAPT
SCHEMBL5109204 0.80 NPR1 (0.48) MAP4K4NPR1SMN1; SMN2PDE5AADORA2A

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 7 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
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 (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 MAP4K4 1899/4885NPR1 1738/4885IRAK4 2392/4885

“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.