SCHEMBL7933355

SCHEMBL7933355

Cc1c(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)oc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL7939594 0.93 BACE1 (0.44) BACE1RAB9ANPC1LMNAL3MBTL1
SCHEMBL7939848 0.92 MAPT (0.45) BACE1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL7944683 0.91 BACE1 (0.44) BACE1RAB9ANPC1LMNATDP1
SCHEMBL7944678 0.91 RAB9A (0.47) BACE1RAB9ANPC1ALDH1A1HPGD
SCHEMBL7944668 0.91 BACE1 (0.51) BACE1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL7942114 0.90 LMNA (0.50) BACE1RAB9ANPC1LMNAALDH1A1
SCHEMBL7933361 0.89 NPC1 (0.49) BACE1RAB9ANPC1LMNAL3MBTL1
SCHEMBL7932607 0.86 BACE1 (0.57) BACE1RAB9ANPC1LMNAL3MBTL1
SCHEMBL7943378 0.85 BACE1 (0.62) BACE1RAB9ANPC1LMNAL3MBTL1
SCHEMBL7944780 0.85 NPC1 (0.46) BACE1RAB9ANPC1ALDH1A1SMN1; SMN2

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 1/4885RAB9A 1287/4885NPC1 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.