SCHEMBL7942072

SCHEMBL7942072

Cc1ccoc1C(=O)Nc1ccnc(CNc2cccnc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
GRM1 Q13255 3/20 0.45
BACE1 P56817 5/20 0.45
PRKCI P41743 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 4/20 0.42
GRM4 Q14833 2/20 0.42
PDGFRB P09619 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
APP P05067 1/20 0.42
CTSD P07339 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL7942688 0.87 BACE1 (0.60) NAMPTMEN1NPC1RAB9AKMT2A
SCHEMBL7943391 0.85 MEN1 (0.46) NAMPTMEN1NPC1RAB9AKMT2A
SCHEMBL7945003 0.83 RAB9A (0.56) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7934692 0.82 BACE1 (0.48) BACE1PRKCI
SCHEMBL7945490 0.82 PRKCI (0.48) BACE1PRKCIGRM4BACE2
SCHEMBL7940417 0.82 HPGD (0.48) NPC1RAB9APKMBACE1PRKCI
SCHEMBL7932768 0.82 BACE1 (0.49) MEN1NPC1RAB9AKMT2ABACE1
SCHEMBL7941408 0.82 HPGD (0.48) NPC1RAB9APKMBACE1PRKCI
SCHEMBL7935759 0.81 RAB9A (0.51) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7944281 0.81 ALOX12 (0.53) MEN1NPC1RAB9AKMT2ABACE1

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 NAMPT 3035/4885MEN1 1150/4885NPC1 431/4885

“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.