SCHEMBL4100720

SCHEMBL4100720

Nc1nc(-c2ccc(-c3ccccc3)cc2)c2nc(Cl)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.51
NUDT1 P36639 1/20 0.51
ADORA1 P30542 8/20 0.47
HSP90AB1 P08238 2/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 2/20 0.43
HSP90AA1 P07900 1/20 0.42
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2B P29275 2/20 0.41
PIK3CG P48736 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4100786 0.97 ADORA2A (0.54) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL4102769 0.87 HSP90AB1 (0.50) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL4097631 0.85 ADORA2A (0.45) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL24109318 0.84 HSP90AB1 (0.41) ADORA2ANUDT1ADORA1HSP90AB1DHFR
SCHEMBL4115434 0.84 ADORA2A (0.53) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL4102985 0.84 HSP90AB1 (0.58) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL4103450 0.84 SRC (0.49) ADORA2AADORA1HSP90AB1LMNASMN1; SMN2
SCHEMBL4114690 0.83 ADORA2A (0.44) ADORA2ANUDT1ADORA1HSP90AB1KDM4E
SCHEMBL4097472 0.83 ADORA2A (0.53) ADORA2ANUDT1ADORA1KDM4ELMNA
SCHEMBL4110066 0.82 ADORA2A (0.43) ADORA2ANUDT1ADORA1HSP90AB1KDM4E

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 ADORA2A 165/4885NUDT1 8/4885ADORA1 163/4885

“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.