SCHEMBL7940948

SCHEMBL7940948

CN1C(=O)CC(C)(c2cc(NC(=O)c3cc4cc(Cl)ccc4o3)ccn2)N=C1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.53
ADAMTS4 O75173 7/20 0.42
ADAMTS5 Q9UNA0 7/20 0.42
MMP2 P08253 6/20 0.42
MMP3 P08254 6/20 0.42
MMP13 P45452 6/20 0.42
MMP14 P50281 6/20 0.42
ADAM17 P78536 4/20 0.42
MMP9 P14780 3/20 0.42
MMP1 P03956 2/20 0.42
MMP7 P09237 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
HRH4 Q9H3N8 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
SCHEMBL7944780 0.90 NPC1 (0.46) BACE1MMP2MMP13
SCHEMBL7941811 0.89 MAPT (0.50) BACE1
SCHEMBL7946595 0.89 BACE1 (0.47) BACE1PTGDR2
SCHEMBL7941917 0.86 BACE1 (0.70) BACE1
SCHEMBL7944995 0.85 BACE1 (0.56) BACE1
SCHEMBL12445873 0.85 ADAMTS4 (0.44) BACE1ADAMTS4ADAMTS5MMP2MMP3
SCHEMBL7944668 0.85 BACE1 (0.51) BACE1L3MBTL1PTGDR2
SCHEMBL12303332 0.84 BACE1 (0.59) BACE1
SCHEMBL7946590 0.84 BACE1 (0.56) BACE1L3MBTL1
SCHEMBL12303324 0.83 BACE1 (0.74) BACE1

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 BACE1 1/4885ADAMTS4 2523/4885ADAMTS5 2199/4885

“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.