SCHEMBL7932664

SCHEMBL7932664

Cn1nc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.46
LRRK2 Q5S007 1/20 0.45
PRKCI P41743 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GRM4 Q14833 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORA P35398 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7940383 0.89 BACE1 (0.49) BACE1PRKCIKMT2AMEN1MAPT
SCHEMBL7941330 0.87 BACE1 (0.61) BACE1LRRK2KMT2AMEN1GRM4
SCHEMBL7942291 0.85 BACE1 (0.44) BACE1LRRK2KMT2AMEN1GRM4
SCHEMBL7941376 0.85 BACE1 (0.42) BACE1PRKCIKMT2AMEN1MAPT
SCHEMBL7945304 0.82 BACE1 (0.50) BACE1LRRK2GRM4
SCHEMBL7940381 0.81 MEN1 (0.46) BACE1PRKCIKMT2AMEN1GRM4
SCHEMBL7939284 0.80 BACE1 (0.44) BACE1PRKCIKMT2AMEN1MAPT
SCHEMBL7939932 0.79 BACE1 (0.44) BACE1PRKCIGRM4KITBRAF
SCHEMBL7932754 0.79 BACE1 (0.55) BACE1PRKCIKMT2AMEN1GRM4
SCHEMBL7942040 0.79 KDM4E (0.54) BACE1MAPTLMNANPC1RAB9A

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 1/4885LRRK2 48/4885PRKCI 2747/4885

“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.