Sugi Predict

Sugi Predict / Compounds / SCHEMBL4096061

SCHEMBL4096061

SCHEMBL4096061

CCCc1nc(N)nc2ccc(-c3ccc(N)c([N+](=O)[O-])c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PGR P06401 1/20 0.38

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
SCHEMBL4102702 0.89 NCOA1 (0.41) MAPTMEN1POLBKMT2ANCOA1
SCHEMBL4102225 0.88 SMN1; SMN2 (0.45) MAPTMEN1POLBKMT2ANCOA1
SCHEMBL4106839 0.86 NPBWR1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4101862 0.85 ALDH1A1 (0.47) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL4096246 0.83 MAPT (0.43) MAPTMEN1POLBKMT2ATDP1
SCHEMBL4115509 0.82 PTPN1 (0.48) MAPTMEN1KMT2ATDP1NCOA1
SCHEMBL4106840 0.79 ALDH1A1 (0.43) MAPTTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL4101881 0.78 MAPT (0.47) MAPTMEN1POLBKMT2ATDP1
SCHEMBL4101904 0.77 CYP1A2 (0.48) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL4107688 0.76 HEXA (0.38) NPC1RAB9ASMN1; SMN2

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 MAPT 1752/4885MEN1 4569/4885POLB 189/4885

“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.