SCHEMBL7942877

SCHEMBL7942877

Nc1ncccc1NCc1cc(NC(=O)c2cn3ccsc3n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.48
BACE2 Q9Y5Z0 3/20 0.48
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMO Q99835 1/20 0.40
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL7942025 0.85 BACE1 (0.43) BACE1BACE2HPGDHSD17B10KDM4E
SCHEMBL7940458 0.85 BACE1 (0.58) BACE1BACE2HPGDHSD17B10KDM4E
SCHEMBL7943432 0.80 BACE1 (0.54) BACE1BACE2HPGDSMN1; SMN2ALDH1A1
SCHEMBL7939707 0.80 RAB9A (0.49) BACE1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL12302313 0.80 BACE1 (0.45) BACE1BACE2KMT2A
SCHEMBL7934113 0.79 BACE1 (0.51) BACE1BACE2TP53
SCHEMBL7943303 0.79 BACE1 (0.52) BACE1BACE2
SCHEMBL7945292 0.79 BACE1 (0.52) BACE1BACE2
SCHEMBL7939705 0.79 BACE1 (0.45) BACE1BACE2
SCHEMBL7941984 0.79 BACE1 (0.49) BACE1MAPTSMN1; SMN2KMT2ATP53

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 1/4885BACE2 3/4885HPGD 3195/4885

“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.