SCHEMBL7935752

SCHEMBL7935752

Nc1ncccc1NCc1cc(NC(=O)c2nsc(Cl)c2Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PRKCI P41743 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 6/20 0.44
GRM4 Q14833 4/20 0.42
SHMT2 P34897 1/20 0.38
JAK2 O60674 1/20 0.36
TYK2 P29597 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
SCHEMBL7941726 0.86 BACE1 (0.59) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL7934105 0.84 NPC1 (0.56) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL7945397 0.82 BACE1 (0.49) PRKCIBACE1GRM4SHMT2JAK2
SCHEMBL7944193 0.82 GRM4 (0.50) PRKCIBACE1GRM4
SCHEMBL7944189 0.82 PRKCI (0.47) PRKCIBACE1GRM4JAK2TYK2
SCHEMBL7940998 0.81 GAA (0.50) NPC1RAB9APRKCIKDM4EBACE1
SCHEMBL7942056 0.81 PRKCI (0.53) PRKCIBACE1GRM4
SCHEMBL7941379 0.80 BACE1 (0.53) PRKCIBACE1GRM4
SCHEMBL7939915 0.80 BACE1 (0.48) PRKCIBACE1GRM4SHMT2JAK2
SCHEMBL7942897 0.79 JAK2 (0.51) NPC1RAB9APRKCIKDM4EMAPT

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 NPC1 431/4885RAB9A 1287/4885PRKCI 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.