SCHEMBL7943391

SCHEMBL7943391

Cc1ccoc1C(=O)Nc1ccc(F)c(CNc2cccnc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.46
GRM1 Q13255 12/20 0.45
GRM4 Q14833 7/20 0.45
BACE1 P56817 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7942072 0.85 NAMPT (0.49) MEN1NPC1RAB9AKMT2APKM
SCHEMBL7942688 0.84 BACE1 (0.60) MEN1NPC1RAB9AKMT2APKM
SCHEMBL7933478 0.83 RAB9A (0.53) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7941959 0.83 BACE1 (0.47) GRM4BACE1
SCHEMBL7942445 0.83 BACE1 (0.47) GRM4BACE1
SCHEMBL7941927 0.82 POLB (0.46) NPC1RAB9APKMBACE1SMN1; SMN2
SCHEMBL7945350 0.82 BACE1 (0.47) NPC1RAB9ABACE1SMN1; SMN2GAA
SCHEMBL7942886 0.81 DGAT1 (0.49) MEN1NPC1RAB9AKMT2ABACE1
SCHEMBL7939899 0.81 DGAT1 (0.50) MEN1NPC1RAB9AKMT2ABACE1
SCHEMBL7941932 0.81 NPC1 (0.46) MEN1NPC1RAB9AKMT2APKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 MEN1 1150/4885NPC1 431/4885RAB9A 1287/4885

“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.