SCHEMBL4106802

SCHEMBL4106802

Nc1nc(-c2ccccc2)c2nc(-c3cccc(OCC4OCCO4)c3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.41
MAP4K4 O95819 7/20 0.41
ADORA2A P29274 4/20 0.39
MAOB P27338 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2B P29275 1/20 0.38
CARM1 Q86X55 1/20 0.37
MAOA P21397 1/20 0.36
PIK3CG P48736 1/20 0.36

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 0.87 CSF1R (0.42) CSF1RMAP4K4ADORA2AMAOBADORA1
SCHEMBL4101644 0.83 MAP4K4 (0.40) CSF1RMAP4K4MAOBCARM1MAOA
SCHEMBL4096455 0.79 MAOB (0.49) MAP4K4ADORA2AMAOBADORA1ADORA2B
SCHEMBL4101150 0.78 ADORA2A (0.63) MAP4K4ADORA2AADORA1ADORA2BPIK3CG
SCHEMBL4095698 0.77 F9 (0.44) MAP4K4ADORA2A
SCHEMBL4107413 0.74 IKBKE (0.42) MAP4K4ADORA2AADORA1PIK3CG
SCHEMBL4103578 0.74 MAP4K4 (0.48) MAP4K4ADORA2AADORA1
SCHEMBL4097655 0.73 CYP1A1 (0.57) MAP4K4ADORA2AADORA1
SCHEMBL4112280 0.73 PTGS1 (0.51) MAP4K4
SCHEMBL3766003 0.73 PIK3CG (0.44) CSF1RMAOBPIK3CG

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 CSF1R 4622/4885MAP4K4 2166/4885ADORA2A 165/4885

“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.