SCHEMBL7944189

SCHEMBL7944189

Nc1ncccc1NCc1cc(NC(=O)c2ncc(Cl)cc2Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.47
BACE1 P56817 14/20 0.47
GRM4 Q14833 2/20 0.45
GPR27 Q9NS67 1/20 0.42
CYP2D6 P10635 2/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7944193 0.92 GRM4 (0.50) PRKCIBACE1GRM4CYP1A2CYP3A4
SCHEMBL7941882 0.88 BACE1 (0.47) PRKCIBACE1BACE2
SCHEMBL7941783 0.88 BACE1 (0.45) PRKCIBACE1BACE2APPCYP3A4
SCHEMBL7941379 0.87 BACE1 (0.53) PRKCIBACE1GRM4
SCHEMBL7939915 0.87 BACE1 (0.48) PRKCIBACE1GRM4BACE2JAK2
SCHEMBL7942210 0.86 BACE1 (0.62) BACE1GRM4GPR27CYP2D6
SCHEMBL7942897 0.86 JAK2 (0.51) PRKCIBACE1GRM4GPR27JAK2
SCHEMBL7935604 0.85 BACE1 (0.49) BACE1GRM4GPR27CYP2D6BACE2
SCHEMBL7940998 0.84 GAA (0.50) PRKCIBACE1GRM4
SCHEMBL7940397 0.82 PRKCI (0.47) PRKCIBACE1GRM4BACE2

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 PRKCI 2747/4885BACE1 1/4885GRM4 2438/4885

“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.