SCHEMBL7942247

SCHEMBL7942247

N#Cc1cn2cc(C(=O)Nc3ccnc(CNc4cccnc4N)c3)ncc2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.46
KIT P10721 2/20 0.37
BRAF P15056 2/20 0.37
PRKCI P41743 2/20 0.36
MALT1 Q9UDY8 2/20 0.35
GRM4 Q14833 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HDAC1 Q13547 1/20 0.34
ATR Q13535 1/20 0.34
APP P05067 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL7940769 0.89 BACE1 (0.59) BACE1KITBRAFGRM4HDAC1
SCHEMBL12303675 0.87 BACE1 (0.50) BACE1PRKCIMALT1
SCHEMBL12303619 0.86 BACE1 (0.44) BACE1KITBRAFGRM4HDAC1
SCHEMBL7944261 0.85 BACE1 (0.46) BACE1KITBRAFPRKCIMALT1
SCHEMBL7945304 0.82 BACE1 (0.50) BACE1GRM4KCNH2
SCHEMBL7932754 0.79 BACE1 (0.55) BACE1PRKCIGRM4HDAC1
SCHEMBL7943492 0.78 BACE1 (0.52) BACE1KITBRAFPRKCIHDAC1
SCHEMBL7932664 0.78 BACE1 (0.46) BACE1KITBRAFPRKCIGRM4
SCHEMBL7935620 0.78 BACE1 (0.53) BACE1PRKCIGRM4HDAC1
SCHEMBL7941379 0.78 BACE1 (0.53) BACE1PRKCIGRM4

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 1/4885KIT 4123/4885BRAF 1984/4885

“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.