SCHEMBL4874609

SCHEMBL4874609

c1ccc(-c2cn(-c3cncnc3)c(-c3ccc(-c4cccnc4)cc3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 2/20 0.42
DCTPP1 Q9H773 1/20 0.40
PTGS2 P35354 2/20 0.39
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 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
SCHEMBL4877532 0.88 ALOX15 (0.40) CYP2A6NPC1TP53PKMRAB9A
SCHEMBL4808663 0.87 CYP2A6 (0.54) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4851170 0.86 PTGS2 (0.46) RAB9AGRM5DCTPP1PTGS2ALDH1A1
SCHEMBL4806030 0.85 DCTPP1 (0.40) CYP2A6NPC1TP53PKMRAB9A
SCHEMBL4810066 0.82 CYP2A6 (0.45) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4807815 0.82 NPC1 (0.44) NPC1TP53PKMTSHRRAB9A
SCHEMBL4805769 0.80 MAPT (0.39) CYP2A6PTGS2CYP1A2MAPTPTGS1
SCHEMBL4806280 0.79 CYP2A6 (0.42) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4878280 0.77 CYP2A6 (0.40) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4809561 0.77 CYP3A4 (0.52) CYP2A6NPC1TSHRRAB9ACYP19A1

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 CYP2A6 157/4885NPC1 1779/4885TP53 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.