SCHEMBL4103405

SCHEMBL4103405

Nc1nc(-c2ccccc2)c2nc(-c3ccc(S(N)(=O)=O)cc3)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.60
CA1 P00915 10/20 0.60
CA9 Q16790 9/20 0.60
CA12 O43570 8/20 0.60
CA7 P43166 2/20 0.60
TDP1 Q9NUW8 1/20 0.50
IKBKB O14920 2/20 0.46
CHUK O15111 1/20 0.46
PTGS2 P35354 6/20 0.45
PTGS1 P23219 3/20 0.45
ADORA2A P29274 1/20 0.43
NUDT1 P36639 1/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TNKS O95271 1/20 0.42
MT-CO2 P00403 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42

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
SCHEMBL4097472 0.86 ADORA2A (0.53) TDP1ADORA2ANUDT1LMNACYP3A4
SCHEMBL4102643 0.81 HPGD (0.51) IKBKBCHUKADORA2ANUDT1LMNA
SCHEMBL4097613 0.81 ADORA2A (0.60) ADORA2ANUDT1ADORA1
SCHEMBL4108035 0.81 KMT2A (0.50) ADORA2ANUDT1CYP3A4
SCHEMBL4103402 0.81 ADORA2A (0.44) CA2CA1CA9CA12CA7
SCHEMBL4106961 0.81 CA1 (0.52) CA2CA1CA9CA12CA7
SCHEMBL4107803 0.81 ADORA2A (0.44) CA2CA1CA9CA12CA7
SCHEMBL4102928 0.80 MAPT (0.54) CA2CA1CA9CA12IKBKB
SCHEMBL4113320 0.80 ADORA2A (0.58) ADORA2ANUDT1ADORA1
SCHEMBL4110099 0.80 ADORA2A (0.52) ADORA2ANUDT1LMNACYP3A4ADORA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD CA2 4093/4885CA1 4831/4885CA9 4113/4885

“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.