SCHEMBL4878619

SCHEMBL4878619

O=[N+]([O-])c1cccnc1Nc1ccc(-n2nc(-c3ccccn3)nc2-c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ABCG2 Q9UNQ0 6/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
F12 P00748 1/20 0.39
CYP2A6 P11509 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
AURKA O14965 2/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
GSK3B P49841 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14194751 0.87 ABCG2 (0.42) MAPTABCG2NPC1RAB9AMAPK1
SCHEMBL14194750 0.84 PDE10A (0.41) MAPTABCG2NPC1RAB9AMAPK1
SCHEMBL4859901 0.76 CYP2A6 (0.48) NPC1RAB9AL3MBTL1F12CYP2A6
SCHEMBL4808376 0.74 MAPT (0.44) MAPTABCG2NPC1RAB9ANFKB1
SCHEMBL4871534 0.71 NPC1 (0.42) MAPTNPC1RAB9AMAPK1L3MBTL1
SCHEMBL4876773 0.70 F12 (0.43) NPC1RAB9AL3MBTL1F12CYP2A6
SCHEMBL6791419 0.70 MAPT (0.60) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4807255 0.70 CYP2A6 (0.41) NPC1RAB9AL3MBTL1F12CYP2A6
SCHEMBL6798244 0.70 MAPT (0.52) MAPTABCG2NPC1RAB9ANFKB1
SCHEMBL6796955 0.70 ABCG2 (0.53) MAPTABCG2NPC1RAB9ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 MAPT 964/4885ABCG2 671/4885NPC1 1779/4885

“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.