SCHEMBL7945352

SCHEMBL7945352

Nc1ncccc1NCc1cc(NC(=O)c2ccc(Br)o2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 9/20 0.47
HPGD P15428 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 5/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 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
SCHEMBL7941927 0.89 POLB (0.46) ALDH1A1MAPTHPGDTDP1HTT
SCHEMBL7941526 0.85 RAB9A (0.52) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL12301760 0.84 BACE1 (0.59) ALDH1A1MAPTHPGDTDP1HTT
SCHEMBL12301465 0.84 NPC1 (0.53) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL7939328 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTDP1HTT
SCHEMBL7943483 0.83 BACE1 (0.45) BACE1
SCHEMBL7939665 0.82 KMT2A (0.53) HTTL3MBTL1RAB9ANPC1POLB
SCHEMBL7941823 0.82 BACE1 (0.46) ALDH1A1LMNAGRM4BACE1
SCHEMBL7943395 0.82 BACE1 (0.48) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL7945289 0.82 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 ALDH1A1 1101/4885MAPT 38/4885HPGD 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.