SCHEMBL4112554

SCHEMBL4112554

Nc1nc(-c2ccccc2-c2ccccc2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.51
ADORA1 P30542 6/20 0.49
TOP1 P11387 2/20 0.46
SCN9A Q15858 1/20 0.45
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTK2B Q14289 1/20 0.41
MAP4K4 O95819 2/20 0.40
ALDH1A3 P47895 1/20 0.40
NUDT1 P36639 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4097613 0.89 ADORA2A (0.60) ADORA2AADORA1TOP1SCN9AMAP4K4
SCHEMBL4113320 0.88 ADORA2A (0.58) ADORA2AADORA1TOP1SCN9AMAP4K4
SCHEMBL4112623 0.86 ADORA2A (0.50) ADORA2AADORA1TOP1SCN9AMAP4K4
SCHEMBL4107776 0.85 ADORA2A (0.47) ADORA2AADORA1TOP1SCN9AMKNK1
SCHEMBL4107469 0.85 ADORA2A (0.52) ADORA2AADORA1TOP1SCN9AMAP4K4
SCHEMBL4112813 0.83 ADORA2A (0.54) ADORA2AADORA1SCN9AMAP4K4NUDT1
SCHEMBL4104681 0.81 ADORA2A (0.42) ADORA2AADORA1SCN9AMAP4K4NUDT1
SCHEMBL4097472 0.81 ADORA2A (0.53) ADORA2AADORA1CYP1A2CYP2C9HPGD
SCHEMBL4107634 0.81 MKNK2 (0.48) ADORA1TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4102893 0.80 ADORA2A (0.48) ADORA2AADORA1TOP1SCN9ACYP1A2

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 165/4885ADORA1 163/4885TOP1 1932/4885

“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.