SCHEMBL7942897

SCHEMBL7942897

Nc1ncccc1NCc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
TYK2 P29597 2/20 0.51
JAK1 P23458 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CES1 P23141 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 3/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GRM4 Q14833 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7940998 0.88 GAA (0.50) MEN1KMT2AAURKAAURKBL3MBTL1
SCHEMBL7942885 0.87 BACE1 (0.61) JAK2TYK2JAK1MEN1KMT2A
SCHEMBL7941379 0.87 BACE1 (0.53) BACE1GRM4PRKCI
SCHEMBL7944189 0.86 PRKCI (0.47) JAK2TYK2BACE1GRM4GPR27
SCHEMBL7940477 0.85 MEN1 (0.46) JAK2TYK2JAK1HPGDMEN1
SCHEMBL7939915 0.84 BACE1 (0.48) JAK2TYK2RPS6KB1BACE1GRM4
SCHEMBL7946768 0.83 NPC1 (0.47) MEN1KMT2ABACE1RAB9ANPC1
SCHEMBL7944193 0.82 GRM4 (0.50) BACE1GRM4PRKCI
SCHEMBL7943507 0.82 BACE1 (0.57) JAK2TYK2BACE1GRM4PRKCI
SCHEMBL7944977 0.81 RXFP1 (0.50) HPGDMEN1KMT2ABACE1RAB9A

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 JAK2 4625/4885TYK2 4372/4885JAK1 4776/4885

“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.