SCHEMBL7933283

SCHEMBL7933283

Nc1ncccc1NCc1cc(NC(=O)c2ccc3ccccc3n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPK1 P28482 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 6/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NPC1 O15118 4/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
BACE1 P56817 5/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 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
SCHEMBL7939707 0.89 RAB9A (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7941984 0.86 BACE1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7943303 0.85 BACE1 (0.52) BACE1
SCHEMBL7945292 0.85 BACE1 (0.52) BACE1
SCHEMBL7943356 0.84 BACE1 (0.51) SMN1; SMN2RAB9ANPC1BACE1
SCHEMBL7933261 0.84 BACE1 (0.62) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7942249 0.84 RAB9A (0.48) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7945289 0.83 BACE1 (0.50) BACE1CYP2C9
SCHEMBL7944814 0.83 BACE1 (0.52) SMN1; SMN2RAB9ANPC1BACE1
SCHEMBL7943486 0.82 NPC1 (0.48) MEN1KMT2ARAB9ANPC1KDM4E

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 38/4885MEN1 1150/4885

“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.