SCHEMBL7940374

SCHEMBL7940374

Nc1ncccc1NCc1cccc(NC(=O)c2cc3cc(Br)ccc3o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 4/20 0.58
POLB P06746 3/20 0.58
BACE1 P56817 6/20 0.55
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
NLRP3 Q96P20 1/20 0.50
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7940967 0.89 BACE1 (0.57) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7941663 0.89 BACE1 (0.58) RAB9AKMT2ANPC1BACE1MEN1
SCHEMBL7946790 0.88 RAB9A (0.55) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7932672 0.86 BACE1 (0.62) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7941526 0.86 RAB9A (0.52) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7945232 0.85 BACE1 (0.53) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7944489 0.84 RAB9A (0.59) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL12301760 0.84 BACE1 (0.59) RAB9AKMT2ANPC1POLBBACE1
SCHEMBL7944667 0.82 BACE1 (0.70) BACE1PARP1AURKAAURKBRPS6KB1
SCHEMBL7944660 0.82 BACE1 (0.62) RAB9ANPC1BACE1MAPK1ALDH1A1

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 RAB9A 1287/4885KMT2A 1020/4885NPC1 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.