SCHEMBL4101644

SCHEMBL4101644

CCCc1nc(N)nc2ccc(-c3cccc(OCC4OCCO4)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 9/20 0.40
CSF1R P07333 1/20 0.38
CARM1 Q86X55 1/20 0.37
MAOB P27338 2/20 0.36
DHFR P00374 3/20 0.35
GAK O14976 2/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL4106238 0.86 CSF1R (0.42) MAP4K4CSF1RCARM1MAOBDHFR
SCHEMBL4106802 0.83 CSF1R (0.41) MAP4K4CSF1RCARM1MAOBMAOA
SCHEMBL4113326 0.82 MAP4K4 (0.56) MAP4K4DHFRGAK
SCHEMBL4114833 0.81 MAOB (0.46) MAP4K4CARM1MAOBDHFRMAOA
SCHEMBL4096070 0.79 PPARA (0.44) MAP4K4DHFR
SCHEMBL4844962 0.78 MAP4K4 (0.52) MAP4K4DHFRGAK
SCHEMBL4115530 0.75 MAP4K4 (0.45) MAP4K4DHFR
SCHEMBL4101142 0.74 MAP4K4 (0.44) MAP4K4DHFR
SCHEMBL4097587 0.74 CTSS (0.51) MAP4K4
SCHEMBL3766003 0.74 PIK3CG (0.44) CSF1RMAOB

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 MAP4K4 2166/4885CSF1R 4622/4885CARM1 4565/4885

“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.