SCHEMBL7939848

SCHEMBL7939848

Cc1ccc2oc(C(=O)Nc3ccnc(C4(C)CC(=O)N(C)C(N)=N4)c3)c(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
BACE1 P56817 7/20 0.44
RAB9A P51151 9/20 0.43
NPC1 O15118 7/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
DGAT1 O75907 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7944683 0.93 BACE1 (0.44) MAPTBACE1RAB9ANPC1TDP1
SCHEMBL7933355 0.92 BACE1 (0.49) MAPTBACE1RAB9ANPC1SMN1; SMN2
SCHEMBL7944678 0.92 RAB9A (0.47) MAPTBACE1RAB9ANPC1DGAT1
SCHEMBL7944668 0.92 BACE1 (0.51) MAPTBACE1RAB9AMEN1KMT2A
SCHEMBL7942114 0.91 LMNA (0.50) MAPTBACE1RAB9ANPC1SMN1; SMN2
SCHEMBL7933361 0.91 NPC1 (0.49) MAPTBACE1RAB9ANPC1SMN1; SMN2
SCHEMBL7943972 0.86 BACE1 (0.59) MAPTBACE1RAB9ANPC1
SCHEMBL7939594 0.85 BACE1 (0.44) MAPTBACE1RAB9ANPC1SMN1; SMN2
SCHEMBL12302218 0.85 BACE1 (0.53) MAPTBACE1GAADGAT1KDM4E
SCHEMBL7943453 0.82 BACE1 (0.51) BACE1RAB9ANPC1MEN1KMT2A

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP 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 MAPT 38/4885BACE1 1/4885RAB9A 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.