SCHEMBL7940381

SCHEMBL7940381

Cn1nc(Cl)cc1C(=O)Nc1ccnc(CNc2cccnc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BACE1 P56817 5/20 0.45
PRKCI P41743 3/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
NAMPT P43490 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM4 Q14833 1/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
VCP P55072 1/20 0.36

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
SCHEMBL7939284 0.90 BACE1 (0.44) MEN1KMT2ABACE1PRKCIMAPT
SCHEMBL7941361 0.87 BACE1 (0.61) MEN1KMT2ABACE1MAPTALDH1A1
SCHEMBL7941376 0.86 BACE1 (0.42) MEN1KMT2ABACE1PRKCIMAPT
SCHEMBL7940383 0.85 BACE1 (0.49) MEN1KMT2ABACE1PRKCIMAPT
SCHEMBL7942267 0.84 MEN1 (0.46) MEN1KMT2ABACE1MAPTALDH1A1
SCHEMBL7932664 0.81 BACE1 (0.46) MEN1KMT2ABACE1PRKCIMAPT
SCHEMBL7943507 0.81 BACE1 (0.57) BACE1PRKCIGRM4JAK2TYK2
SCHEMBL7940998 0.80 GAA (0.50) MEN1KMT2ABACE1PRKCINAMPT
SCHEMBL7932666 0.80 NAMPT (0.49) BACE1PRKCIMAPTNAMPTGRM4
SCHEMBL7939288 0.80 BACE1 (0.42) MEN1KMT2ABACE1PRKCIALDH1A1

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 MEN1 1150/4885KMT2A 1020/4885BACE1 1/4885

“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.