Sugi Predict

Sugi Predict / Compounds / SCHEMBL4875779

SCHEMBL4875779

SCHEMBL4875779

c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(-n3ccc4cccnc43)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 1/20 0.52
▸ CYP2A6 P11509 2/20 0.45
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ EPHX2 P34913 5/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 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
▸ PIM1 P11309 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
SCHEMBL4869079 0.92 USP8 (0.49) USP8CYP2A6CA12CA1CA2
SCHEMBL4871534 0.81 NPC1 (0.42) USP8CYP2A6IRAK4MAPTGRM5
SCHEMBL4807218 0.81 USP8 (0.59) USP8CYP2A6CA12CA1CA2
SCHEMBL14223974 0.77 MAPKAPK2 (0.45) CYP2A6NPC1RAB9AL3MBTL1
SCHEMBL31049774 0.74 CDC7 (0.44) CYP2A6MAPTNPC1RAB9ATP53
SCHEMBL4878218 0.74 TGFBR1 (0.39) CYP2A6MAPTGRM5NPC1RAB9A
SCHEMBL4859211 0.74 MAPT (0.42) CYP2A6MAPTGRM5PTGS2PTGS1
SCHEMBL4873084 0.73 CYP19A1 (0.43) CYP2A6MAPTNPC1RAB9ATP53
SCHEMBL14133071 0.73 RAB9A (0.57) USP8MAPTGRM5PTGS2PTGS1
SCHEMBL4869244 0.72 VHL (0.38) CYP2A6MAPTGRM5DCTPP1NPC1

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 8 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 claimed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — 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
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
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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B USP8 446/4885CYP2A6 869/4885CA12 4882/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 USP8 2326/4885CYP2A6 157/4885CA12 1356/4885

“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.