SCHEMBL4573354

SCHEMBL4573354

O=S(=O)(CCCO)Nc1c[c]ccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
AR P10275 1/20 0.33
CA2 P00918 3/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
THRA P10827 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
APLNR P35414 1/20 0.31
GGPS1 O95749 1/20 0.31
BRD4 O60885 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9850091 0.84 AR (0.47) AURKAKDRAURKBARHPGD
SCHEMBL9864043 0.82 GGPS1 (0.44) AURKAKDRAURKBARHPGD
SCHEMBL11478431 0.82 GGPS1 (0.44) AURKAKDRAURKBARHPGD
SCHEMBL8957580 0.82 GGPS1 (0.44) AURKAKDRAURKBARHPGD
SCHEMBL8744668 0.82 GGPS1 (0.44) AURKAKDRAURKBARHPGD
SCHEMBL1418868 0.81 IKBKB (0.34) CA2CA12CA1CA4CA7
SCHEMBL161048 0.81 KDR (0.42) AURKAKDRAURKBARHPGD
SCHEMBL18461065 0.80 AR (0.47) AURKAKDRAURKBARCA2
SCHEMBL1157716 0.78 HPGD (0.47) AURKAKDRAURKBARHPGD
SCHEMBL1419122 0.77 LMNA (0.31) CA2HPGDLMNACA1KMT2A

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 claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
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
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 AURKA 2940/4885KDR 1634/4885AURKB 2316/4885

“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.