SCHEMBL4878280

SCHEMBL4878280

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-c4cccc5cccnc45)cc3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 2/20 0.38
HTT P42858 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 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
SCHEMBL4874229 0.86 ALDH1A1 (0.38) HTTMAPTMAPK1GAATP53
SCHEMBL4809253 0.85 CYP2A6 (0.40) CYP2A6GRM5MAPTTP53SMN1; SMN2
SCHEMBL4808663 0.84 CYP2A6 (0.54) CYP2A6GRM5HTTMAPTMAPK1
SCHEMBL4852886 0.83 SLC40A1 (0.40) NPC1RAB9AHSP90AA1GRM1
SCHEMBL4810066 0.82 CYP2A6 (0.45) CYP2A6GRM5HTTMAPTMAPK1
SCHEMBL4806280 0.79 CYP2A6 (0.42) CYP2A6GRM5MAPTTP53SMN1; SMN2
SCHEMBL4875437 0.78 MAPT (0.47) CYP2A6NPSR1GRM5MAPTCYP2E1
SCHEMBL4859211 0.78 MAPT (0.42) CYP2A6GRM5MAPTTP53SMN1; SMN2
SCHEMBL4875800 0.77 IRAK4 (0.43) CYP2A6NPSR1MAPTGAAKDM4E
SCHEMBL4874609 0.77 CYP2A6 (0.50) CYP2A6GRM5MAPTTP53SMN1; 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 3 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

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 CYP2A6 157/4885GFER 2332/4885NPSR1 1386/4885

“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.