SCHEMBL7940384

SCHEMBL7940384

Cc1csc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.44
PRKCI P41743 3/20 0.44
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
VCP P55072 3/20 0.38
HDAC1 Q13547 1/20 0.37
KIT P10721 3/20 0.37
BRAF P15056 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SHMT2 P34897 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
SCHEMBL7942157 0.86 BACE1 (0.60) BACE1
SCHEMBL7932770 0.85 BACE1 (0.45) BACE1PRKCIVCPHDAC1NPC1
SCHEMBL7946719 0.84 BACE1 (0.43) BACE1CASP3SENP8SENP7SENP6
SCHEMBL7941414 0.82 HPGD (0.50) BACE1PRKCICASP3SENP8SENP7
SCHEMBL7932754 0.82 BACE1 (0.55) BACE1PRKCIVCPHDAC1
SCHEMBL7944983 0.81 BACE1 (0.45) BACE1PRKCIVCPKITBRAF
SCHEMBL7941231 0.81 GAA (0.45) BACE1PRKCIHDAC1KITBRAF
SCHEMBL12303677 0.81 BACE1 (0.49) BACE1PRKCIVCPHDAC1KIT
SCHEMBL7935774 0.81 BACE1 (0.43) BACE1PRKCIVCPHDAC1KIT
SCHEMBL7945397 0.80 BACE1 (0.49) BACE1PRKCIVCPHDAC1KIT

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 BACE1 1/4885PRKCI 2747/4885CASP3 711/4885

“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.