SCHEMBL4096116

SCHEMBL4096116

CS(=O)(=O)Nc1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
HSP90AA1 P07900 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 10/20 0.48
CYP3A4 P08684 10/20 0.48
CYP2D6 P10635 9/20 0.48
CYP2C19 P33261 8/20 0.48
CLK4 Q9HAZ1 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 6/20 0.46
USP2 O75604 6/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 3/20 0.46
KMT2A Q03164 3/20 0.46
ATR Q13535 2/20 0.46

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
SCHEMBL4101589 0.89 TP53 (0.47) ALDH1A1LMNAHSP90AA1NPC1RAB9A
SCHEMBL4097669 0.85 NPC1 (0.47) ALDH1A1LMNAHSP90AA1GAATHRB
SCHEMBL4102863 0.84 MAP4K4 (0.41) DHFR
SCHEMBL4107050 0.84 ALDH1A1 (0.54) ALDH1A1LMNAHSP90AA1GAATHRB
SCHEMBL4107714 0.81 ALDH1A1 (0.56) ALDH1A1LMNAGAANPC1RAB9A
SCHEMBL4112715 0.80 KDM1A (0.40) LMNANPC1RAB9AHSD17B10MEN1
SCHEMBL4102963 0.80 MAP4K4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL4100914 0.80 DHFR (0.54) DHFR
SCHEMBL4110095 0.79 MAP4K4 (0.46) ATRDHFR
SCHEMBL823663 0.79 DHFR (0.54) ALDH1A1LMNAHSP90AA1GAATHRB

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 ALDH1A1 1721/4885LMNA 1233/4885HSP90AA1 4742/4885

“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.