SCHEMBL4802006

SCHEMBL4802006

Cc1ccc(-n2cc(-c3nc(C)cs3)nc2-c2ccc(Nc3ncccc3[N+](=O)[O-])cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE10A Q9Y233 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
PTK2 Q05397 1/20 0.34
TGFBR1 P36897 2/20 0.33

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
SCHEMBL4806097 0.90 MAPT (0.41) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4878547 0.87 MAPT (0.42) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4808376 0.87 MAPT (0.44) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4806593 0.87 MAPT (0.41) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4858595 0.87 MAPT (0.41) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL14194744 0.85 PDE10A (0.39) PDE10ATGFBR1TGFBR2CYP2E1CYP3A4
SCHEMBL14194755 0.76 L3MBTL1 (0.40) MAPTNPC1MAPK1L3MBTL1MEN1
SCHEMBL14194761 0.75 GCK (0.33) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4876584 0.75 PDE10A (0.39) PDE10ASRCCDK2ZAP70SYK
SCHEMBL4807681 0.75 CYP3A4 (0.39) MAPK1MEN1KMT2AALDH1A1PDE10A

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 4 patents. 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
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 MAPT 964/4885NPC1 1779/4885RAB9A 870/4885

“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.