SCHEMBL5115282

SCHEMBL5115282

Nc1ncc(-c2ccc3nc(NCc4ccc(S(N)(=O)=O)cc4)nc(NC4CC4)c3n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
CA1 P00915 11/20 0.42
CA2 P00918 11/20 0.42
CA9 Q16790 11/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
ILK Q13418 1/20 0.37
GHSR Q92847 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL5111068 0.85 CA1 (0.46) AXLTYRO3MERTKCA1CA2
SCHEMBL5115045 0.84 KDM4E (0.42) CA1CA2CA9KDM4ENPC1
SCHEMBL5122252 0.84 KDM4E (0.44) CA1CA2CA9KDM4ENPC1
SCHEMBL5107326 0.82 PTGS2 (0.43) AXLTYRO3MERTKCA1CA2
SCHEMBL5122541 0.81 CA1 (0.51) CA1CA2CA9KDM4ENPC1
SCHEMBL5111065 0.80 SYK (0.44) AXLTYRO3MERTKCA1CA2
SCHEMBL5112869 0.79 AXL (0.45) AXLTYRO3MERTKCA1CA2
SCHEMBL5123251 0.77 SYK (0.39) AXLTYRO3MERTKCA1CA2
SCHEMBL14131703 0.77 SYK (0.39) AXLTYRO3MERTKCA1CA2
SCHEMBL14131409 0.76 SYK (0.40) AXLTYRO3MERTKCA1CA2

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 AXL 682/4885TYRO3 538/4885MERTK 2669/4885

“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.