SCHEMBL4873084

SCHEMBL4873084

c1ccc(-c2nc(-c3cccnc3)c(-c3ccc(-n4ccc5cccnc54)cc3)[nH]2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
CYP2A6 P11509 1/20 0.40
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
CBFB Q13951 2/20 0.39
BRAF P15056 2/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.38
MAPK14 Q16539 6/20 0.38
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
RAF1 P04049 4/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL14223974 0.78 MAPKAPK2 (0.45) CYP19A1CYP2A6NPC1RAB9AKDM4E
SCHEMBL4812655 0.77 CDC7 (0.39) CYP19A1CYP2A6METAP2IDO1KDM4E
SCHEMBL4871534 0.76 NPC1 (0.42) CYP2A6MAPTNPC1PKMRAB9A
SCHEMBL4869244 0.75 VHL (0.38) CYP19A1CYP2A6MAPTNPC1RAB9A
SCHEMBL4874771 0.75 MAPT (0.44) MAPTMAPK14SMN1; SMN2KDM4ELMNA
SCHEMBL4859211 0.75 MAPT (0.42) CYP2A6MAPTNPC1PKMRAB9A
SCHEMBL4872987 0.74 VHL (0.39) CYP19A1CYP2A6MAPTNPC1RAB9A
SCHEMBL4875779 0.73 USP8 (0.52) CYP2A6MAPTNPC1PKMRAB9A
SCHEMBL4869079 0.73 USP8 (0.49) CYP2A6MAPTNPC1PKMRAB9A
SCHEMBL31049774 0.73 CDC7 (0.44) CYP2A6METAP1MAPTNPC1PKM

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 claimed
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 CYP19A1 60/4885CYP2A6 157/4885METAP2 2524/4885

“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.