SCHEMBL7944708

SCHEMBL7944708

CSc1ccc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.52
PRKCI P41743 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
GRM4 Q14833 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
VCP P55072 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
SHMT2 P34897 1/20 0.35

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
SCHEMBL7933259 0.88 BACE1 (0.56) BACE1PRKCINPC1RAB9AGRM4
SCHEMBL7932754 0.87 BACE1 (0.55) BACE1PRKCIGRM4SMN1; SMN2KMT2A
SCHEMBL7942016 0.86 BACE1 (0.69) BACE1NPC1RAB9AGRM4SMN1; SMN2
SCHEMBL7935620 0.86 BACE1 (0.53) BACE1PRKCIGRM4SHMT2
SCHEMBL7941379 0.86 BACE1 (0.53) BACE1PRKCIGRM4
SCHEMBL7941381 0.85 BACE1 (0.52) BACE1PRKCI
SCHEMBL7939305 0.85 BACE1 (0.52) BACE1PRKCIGRM4CYP2D6
SCHEMBL7941890 0.85 BACE1 (0.59) BACE1PRKCINPC1RAB9AGRM4
SCHEMBL7942253 0.84 BACE1 (0.58) BACE1PRKCINPC1RAB9ASMN1; SMN2
SCHEMBL7933218 0.84 BACE1 (0.50) BACE1NPC1RAB9AGRM4SMN1; SMN2

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 2747/4885NPC1 431/4885

“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.