SCHEMBL4877532

SCHEMBL4877532

c1ccc(-c2cn(-c3cncnc3)c(-c3ccc(-c4ccncc4)cc3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 4/20 0.38
LMNA P02545 2/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 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
SCHEMBL4851170 0.90 PTGS2 (0.46) RAB9AALDH1A1PTGS1KDM4EL3MBTL1
SCHEMBL4874609 0.88 CYP2A6 (0.50) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4806030 0.88 DCTPP1 (0.40) ALOX15MAPK1TP53SMN1; SMN2NPC1
SCHEMBL4807815 0.85 NPC1 (0.44) MAPK1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL4805769 0.81 MAPT (0.39) MAPTPTGS1KMT2ACYP1A2MAPK9
SCHEMBL4808663 0.79 CYP2A6 (0.54) ALOX15MAPK1TP53SMN1; SMN2NPC1
SCHEMBL4810066 0.77 CYP2A6 (0.45) ALOX15MAPK1TP53SMN1; SMN2NPC1
SCHEMBL4806280 0.74 CYP2A6 (0.42) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4878280 0.73 CYP2A6 (0.40) ALOX15MAPK1TP53SMN1; SMN2NPC1
SCHEMBL4809561 0.73 CYP3A4 (0.52) ALOX15MAPK1NPC1RAB9AHSD17B10

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 ALOX15 2543/4885MAPK1 1607/4885TP53 4648/4885

“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.