SCHEMBL4877025

SCHEMBL4877025

Ic1ccc(-c2nc(-c3ccccn3)nn2-c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.43
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 1/20 0.41
OPRK1 P41145 1/20 0.39
GRM1 Q13255 3/20 0.38
DCTPP1 Q9H773 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 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
SCHEMBL4859901 0.88 CYP2A6 (0.48) GRM5F2F12NPC1TP53
SCHEMBL4878218 0.82 TGFBR1 (0.39) GRM5F2F12NPC1TP53
SCHEMBL4810066 0.80 CYP2A6 (0.45) GRM5NPC1TP53PKMTSHR
SCHEMBL17614699 0.73 KDM4E (0.50) GRM5F2F12NPC1TP53
SCHEMBL4876773 0.72 F12 (0.43) GRM5F2F12NPC1TP53
SCHEMBL4871534 0.71 NPC1 (0.42) GRM5F2F12NPC1TP53
SCHEMBL4808161 0.70 PTGS1 (0.39) GRM5TP53SMN1; SMN2CYP2A6OPRK1
SCHEMBL14194750 0.69 PDE10A (0.41) GRM5F2F12NPC1TP53
SCHEMBL4808663 0.69 CYP2A6 (0.54) GRM5NPC1TP53PKMTSHR
SCHEMBL4984561 0.68 SMN1; SMN2 (0.53) F2F12SMN1; SMN2CYP2A6GRM1

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 GRM5 881/4885F2 4222/4885F12 2787/4885

“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.