SCHEMBL7939893

SCHEMBL7939893

Cc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)c(C)o1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.60
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 1/20 0.50
PARP1 P09874 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
KDR P35968 1/20 0.47
GLA P06280 1/20 0.47
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL7941408 0.87 HPGD (0.48) BACE1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7944660 0.86 BACE1 (0.62) BACE1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7941932 0.84 NPC1 (0.46) BACE1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7942222 0.83 BACE1 (0.59) BACE1SMN1; SMN2ALDH1A1KDRAURKA
SCHEMBL7939889 0.83 BACE1 (0.66) BACE1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7940400 0.82 BACE1 (0.60) BACE1PARP1KDRAURKAAURKB
SCHEMBL7942892 0.81 BACE1 (0.61) BACE1NPC1RAB9AKDRGLA
SCHEMBL7942688 0.80 BACE1 (0.60) BACE1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7944676 0.80 BACE1 (0.57) BACE1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7942888 0.80 BACE1 (0.65) BACE1PARP1KDRAURKAAURKB

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 1/4885LMNA 1540/4885SMN1; SMN2 576/4885

“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.