SCHEMBL4859901

SCHEMBL4859901

Ic1ccc(-n2nc(-c3ccccn3)nc2-c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM5 P41594 4/20 0.46
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP8 P40818 1/20 0.39
OPRK1 P41145 1/20 0.39
AKT1 P31749 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4877025 0.88 GRM5 (0.43) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4871534 0.82 NPC1 (0.42) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4876773 0.81 F12 (0.43) CYP2A6NPC1TP53PKMTSHR
SCHEMBL14194750 0.80 PDE10A (0.41) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4807255 0.78 CYP2A6 (0.41) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4804906 0.77 USP8 (0.56) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4807218 0.77 USP8 (0.59) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4878619 0.76 MAPT (0.44) CYP2A6NPC1TP53PKMTSHR
SCHEMBL14194751 0.74 ABCG2 (0.42) CYP2A6NPC1TP53PKMTSHR
SCHEMBL17614699 0.73 KDM4E (0.50) NPC1TP53PKMTSHRRAB9A

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 5 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
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 (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.