SCHEMBL4112601

SCHEMBL4112601

CCCc1nc(N)nc2ccc(-c3ccnc(N4CCNCC4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.46
ATR Q13535 2/20 0.45
KARS1 Q15046 6/20 0.44
PRKD1 Q15139 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
PRKD3 O94806 1/20 0.43
DHFR P00374 1/20 0.41
DYRK1A Q13627 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL4107779 0.89 DHFR (0.44) DHFRHRH3KCNH2HRH4
SCHEMBL4115754 0.85 DHFR (0.44) ATRPRKD1PRKD3DHFRDYRK1A
SCHEMBL4114825 0.85 ATR (0.48) NMT1ATRKARS1PRKD1PRKD2
SCHEMBL4102242 0.83 DHFR (0.44) DHFRHRH3KCNH2HRH4
SCHEMBL4112371 0.81 MAP4K4 (0.47) DHFR
SCHEMBL4101654 0.80 ATR (0.53) NMT1ATRKARS1PRKD1PRKD2
SCHEMBL4103549 0.78 MAP4K4 (0.43)
SCHEMBL4102239 0.77 HTR7 (0.44) DHFRHRH3KCNH2HRH4
SCHEMBL4102195 0.75 HRH4 (0.45) HRH3HRH4
SCHEMBL4102869 0.75 HEXA (0.39) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 NMT1 1798/4885ATR 3290/4885KARS1 1249/4885

“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.