SCHEMBL7944281

SCHEMBL7944281

Cc1cc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.53
TP53 P04637 1/20 0.50
KMT2A Q03164 5/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BACE1 P56817 6/20 0.47
MEN1 O00255 3/20 0.44
PRKCI P41743 2/20 0.44
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL7945630 0.88 BACE1 (0.55) ALOX12KMT2ABACE1MEN1PRKCI
SCHEMBL7942892 0.87 BACE1 (0.61) ALOX12TP53KMT2AGLAHTT
SCHEMBL7932768 0.85 BACE1 (0.49) TP53KMT2AGLAHTTL3MBTL1
SCHEMBL7940417 0.85 HPGD (0.48) TP53HTTNPC1RAB9ABACE1
SCHEMBL7939665 0.84 KMT2A (0.53) ALOX12TP53KMT2AGLAHTT
SCHEMBL12302349 0.83 BACE1 (0.44) BACE1PRKCIVCP
SCHEMBL7941408 0.81 HPGD (0.48) TP53GLANPC1RAB9ABACE1
SCHEMBL7942253 0.81 BACE1 (0.58) TP53KMT2AHTTL3MBTL1NPC1
SCHEMBL7939328 0.81 ALDH1A1 (0.49) KMT2AHTTL3MBTL1NPC1RAB9A
SCHEMBL7942072 0.81 NAMPT (0.49) KMT2ANPC1RAB9ABACE1MEN1

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 ALOX12 4139/4885TP53 2416/4885KMT2A 1020/4885

“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.