SCHEMBL7941376

SCHEMBL7941376

Cn1nc(C#N)cc1C(=O)Nc1ccnc(CNc2cccnc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
PRKCI P41743 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NAMPT P43490 1/20 0.39
MALT1 Q9UDY8 3/20 0.39
KIT P10721 2/20 0.38
BRAF P15056 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
VCP P55072 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34

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
SCHEMBL7943158 0.88 BACE1 (0.56) BACE1MEN1KMT2ANAMPTKIT
SCHEMBL7939284 0.87 BACE1 (0.44) BACE1PRKCIMEN1KMT2ANAMPT
SCHEMBL7940381 0.86 MEN1 (0.46) BACE1PRKCIMEN1KMT2ANAMPT
SCHEMBL7944273 0.85 BACE1 (0.40) BACE1MEN1KMT2ANAMPTKIT
SCHEMBL7932664 0.85 BACE1 (0.46) BACE1PRKCIMEN1KMT2AKIT
SCHEMBL7940383 0.81 BACE1 (0.49) BACE1PRKCIMEN1KMT2AALDH1A1
SCHEMBL7945304 0.80 BACE1 (0.50) BACE1
SCHEMBL7939932 0.79 BACE1 (0.44) BACE1PRKCIKITBRAFVCP
SCHEMBL7932666 0.78 NAMPT (0.49) BACE1PRKCINAMPTMAPTKDR
SCHEMBL7939288 0.78 BACE1 (0.42) BACE1PRKCIMEN1KMT2AALDH1A1

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 1/4885PRKCI 2747/4885MEN1 1150/4885

“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.