SCHEMBL823795

SCHEMBL823795

CS(=O)(=O)Nc1cccc(-c2ccc3nc(N)nc(O[C@@H]4CCOC4)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.44
KDM1A O60341 1/20 0.41
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
TYRO3 Q06418 6/20 0.39
HTT P42858 1/20 0.39
ATR Q13535 2/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38

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
SCHEMBL825900 1.00 MTOR (0.44) MTORKDM1ANPC1JAK2RAB9A
SCHEMBL823663 0.79 DHFR (0.54) KDM1ANPC1JAK2RAB9ALMNA
SCHEMBL4421609 0.78 MTOR (0.38) MTORNPC1RAB9AALDH1A1CYP3A4
SCHEMBL4423840 0.77 ALOX5AP (0.38) MTOR
SCHEMBL3609814 0.76 HDAC1 (0.39) MTORDHFR
SCHEMBL13500401 0.76 HDAC1 (0.39) MTORDHFR
SCHEMBL3605007 0.76 HDAC1 (0.39) MTORDHFR
SCHEMBL823636 0.76 DHFR (0.45) KDM1ANPC1JAK2RAB9ALMNA
SCHEMBL823789 0.75 GRM4 (0.38) MTORNPC1RAB9ALMNAATR
SCHEMBL825714 0.75 GRM4 (0.38) MTORNPC1RAB9ALMNAATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MTOR 4090/4885KDM1A 3870/4885NPC1 3135/4885

“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.