SCHEMBL5114595

SCHEMBL5114595

CS(=O)(=O)CCNc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)s3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MAPK14 Q16539 2/20 0.35
NTRK1 P04629 3/20 0.34
CTNNB1 P35222 4/20 0.34
TCF7L2 Q9NQB0 4/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
AKT3 Q9Y243 1/20 0.34
CDK5 Q00535 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5122252 0.90 KDM4E (0.44) CDK2KDM4ENPC1MAPTCDK5
SCHEMBL5116062 0.86 PTGS2 (0.46) TLR8TLR7PTGS2PTGS1NTRK1
SCHEMBL5121996 0.82 PTGS2 (0.46) TLR8TLR7PTGS2PTGS1KDM4E
SCHEMBL5121576 0.81 PTGS2 (0.40) TLR8TLR7PTGS2PTGS1CTNNB1
SCHEMBL5110068 0.79 NTRK1 (0.35) TLR8TLR7PTGS2MAPK14NTRK1
SCHEMBL5115045 0.78 KDM4E (0.42) PTGS2KDM4ENPC1MAPTILK
SCHEMBL5115282 0.75 AXL (0.43) CCNE1CDK2KDM4ENPC1MAPT
SCHEMBL8252450 0.73 ACHE (0.39) TLR8TLR7NPC1
SCHEMBL5122541 0.73 CA1 (0.51) CDK2CCNA2CCNA1KDM4ENPC1
SCHEMBL5116290 0.71 CA1 (0.41) PTGS2PTGS1KDM4ENPC1MAPT

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 TLR8 2289/4885TLR7 964/4885PTGS2 1073/4885

“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.