SCHEMBL7932768

SCHEMBL7932768

Cc1cc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
PRKCI P41743 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM6B O15054 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4D Q6B0I6 1/20 0.43

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
SCHEMBL7934692 0.86 BACE1 (0.48) BACE1PRKCI
SCHEMBL12302349 0.86 BACE1 (0.44) BACE1PRKCI
SCHEMBL7939889 0.86 BACE1 (0.66) BACE1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7944281 0.85 ALOX12 (0.53) BACE1NPC1RAB9AALDH1A1USP2
SCHEMBL7932754 0.85 BACE1 (0.55) BACE1SMN1; SMN2ALDH1A1PRKCIMEN1
SCHEMBL7941408 0.84 HPGD (0.48) BACE1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7942253 0.84 BACE1 (0.58) BACE1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7940417 0.84 HPGD (0.48) BACE1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7945350 0.83 BACE1 (0.47) BACE1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7945397 0.83 BACE1 (0.49) BACE1PRKCI

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 1/4885HSD17B10 895/4885SMN1; SMN2 576/4885

“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.