SCHEMBL7942267

SCHEMBL7942267

Cn1nc(Cl)cc1C(=O)Nc1ccc(F)c(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 0.43
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 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
SCHEMBL7941268 0.90 BACE1 (0.48) MEN1KMT2ABACE1RXFP1NPC1
SCHEMBL7944273 0.87 BACE1 (0.40) MEN1KMT2ABACE1RXFP1NPC1
SCHEMBL7945677 0.85 BACE1 (0.47) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL7940381 0.84 MEN1 (0.46) MEN1KMT2ABACE1RXFP1NPC1
SCHEMBL7941361 0.84 BACE1 (0.61) MEN1KMT2ABACE1RXFP1NPC1
SCHEMBL7942291 0.82 BACE1 (0.44) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL7943486 0.82 NPC1 (0.48) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL7944835 0.81 BACE1 (0.54) BACE1NPC1RAB9ASMN1; SMN2GRM4
SCHEMBL7943303 0.81 BACE1 (0.52) BACE1
SCHEMBL7940554 0.81 BACE1 (0.47) BACE1NPC1AURKAAURKBGRM4

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.