SCHEMBL7943395

SCHEMBL7943395

Nc1ncccc1NCc1cc(NC(=O)c2ccc(Br)s2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
MITF O75030 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
POLB P06746 2/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL7944905 0.90 BACE1 (0.43) BACE1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7940524 0.87 BACE1 (0.50) BACE1NPC1RAB9AKMT2APOLB
SCHEMBL7940454 0.84 HDAC2 (0.46) BACE1CASP3SENP7SENP8SENP6
SCHEMBL7943483 0.83 BACE1 (0.45) BACE1HDAC4
SCHEMBL7941994 0.83 GAA (0.42) BACE1POLBHDAC3PDGFRBKDR
SCHEMBL7941414 0.83 HPGD (0.50) BACE1SMN1; SMN2NPC1RAB9AMITF
SCHEMBL7942164 0.83 BACE1 (0.59) BACE1SMN1; SMN2NPC1RAB9AMITF
SCHEMBL7946719 0.83 BACE1 (0.43) BACE1CASP3SENP7SENP8SENP6
SCHEMBL7941823 0.83 BACE1 (0.46) BACE1HDAC4ALDH1A1
SCHEMBL7945289 0.83 BACE1 (0.50) 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 1/4885SMN1; SMN2 576/4885NPC1 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.