SCHEMBL7940970

SCHEMBL7940970

Cc1ccc2oc(C(=O)Nc3cccc(CNc4cccnc4N)c3)c(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.56
RAB9A P51151 12/20 0.50
NPC1 O15118 10/20 0.50
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7944478 0.92 BACE1 (0.55) BACE1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL7939891 0.91 BACE1 (0.56) BACE1RAB9ANPC1MAPTTSHR
SCHEMBL7944489 0.91 RAB9A (0.59) BACE1RAB9ANPC1MAPTTSHR
SCHEMBL7939896 0.91 BACE1 (0.54) BACE1RAB9ANPC1MAPTTSHR
SCHEMBL7944676 0.91 BACE1 (0.57) BACE1RAB9ANPC1MAPTTSHR
SCHEMBL7944680 0.90 BACE1 (0.59) BACE1RAB9ANPC1MAPTMEN1
SCHEMBL7935759 0.88 RAB9A (0.51) RAB9ANPC1MAPTTSHRSMN1; SMN2
SCHEMBL7942886 0.85 DGAT1 (0.49) BACE1RAB9ANPC1MAPTTSHR
SCHEMBL7945232 0.83 BACE1 (0.53) BACE1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7942688 0.81 BACE1 (0.60) BACE1RAB9ANPC1MAPTSMN1; 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 3 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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP 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.