SCHEMBL7939707

SCHEMBL7939707

Nc1ncccc1NCc1cc(NC(=O)c2cnc3ccccc3n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
BACE1 P56817 4/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
BRAF P15056 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL7933283 0.89 ALDH1A1 (0.50) RAB9ANPC1MAPTGAABACE1
SCHEMBL7941984 0.86 BACE1 (0.49) RAB9ANPC1MAPTBACE1SMN1; SMN2
SCHEMBL7944835 0.85 BACE1 (0.54) RAB9ANPC1BACE1SMN1; SMN2HDAC3
SCHEMBL7943303 0.85 BACE1 (0.52) BACE1
SCHEMBL7945292 0.85 BACE1 (0.52) BACE1
SCHEMBL7941880 0.84 SMN1; SMN2 (0.57) RAB9ANPC1MAPTGAABACE1
SCHEMBL7943356 0.84 BACE1 (0.51) RAB9ANPC1BACE1SMN1; SMN2HDAC3
SCHEMBL7944264 0.84 RAB9A (0.51) RAB9ANPC1MAPTGAABACE1
SCHEMBL7939649 0.84 BACE1 (0.68) RAB9ANPC1MAPTGAABACE1
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 RAB9A 1287/4885NPC1 431/4885MAPT 38/4885

“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.