SCHEMBL4101654

SCHEMBL4101654

Nc1nc(-c2ccccc2)c2nc(-c3ccnc(N4CCNCC4)c3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.53
KARS1 Q15046 6/20 0.46
DYRK1A Q13627 1/20 0.45
PRKD1 Q15139 3/20 0.45
PRKD2 Q9BZL6 3/20 0.45
PRKD3 O94806 1/20 0.45
NMT1 P30419 2/20 0.44
CSNK1D P48730 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLD1 Q13393 1/20 0.40
SMG1 Q96Q15 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
SCHEMBL4112706 0.88 HRH4 (0.51) CSNK1DMAPK14HRH3HRH4KDM4E
SCHEMBL4110029 0.84 ATR (0.53) ATRHIF1A
SCHEMBL4114825 0.84 ATR (0.48) ATRKARS1DYRK1APRKD1PRKD2
SCHEMBL4112896 0.82 PIM1 (0.51) HRH4KDM4ES1PR2LMNAKMT2A
SCHEMBL4794633 0.81 ATR (0.53) ATRDYRK1APRKD1PRKD2PRKD3
SCHEMBL4112601 0.80 NMT1 (0.46) ATRKARS1DYRK1APRKD1PRKD2
SCHEMBL4102137 0.79 CKS1B (0.54)
SCHEMBL4112890 0.79 HTR7 (0.51) HRH4KDM4ES1PR2LMNAKMT2A
SCHEMBL4104424 0.77 ADORA2A (0.57) KDM4E
SCHEMBL3442456 0.74 DYRK1A (0.64) ATRKARS1DYRK1ANMT1CSNK1D

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 ATR 3290/4885KARS1 1249/4885DYRK1A 287/4885

“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.