SCHEMBL7942773

SCHEMBL7942773

Cc1c(C(=O)Nc2ccnc(CNc3cccnc3N)c2)sc2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.41
PRKCI P41743 2/20 0.40
F10 P00742 5/20 0.39
VCP P55072 2/20 0.36
PDGFRB P09619 3/20 0.36
KDR P35968 3/20 0.36
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
CISD2 Q8N5K1 2/20 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
SCHEMBL7945236 0.88 BACE1 (0.54) BACE1
SCHEMBL7940504 0.86 PTGDR2 (0.40) BACE1F10PDGFRBKDRCISD2
SCHEMBL7943409 0.82 RAB9A (0.45) BACE1PRKCI
SCHEMBL7935757 0.80 RAB9A (0.50) BACE1PRKCIF10VCP
SCHEMBL7932770 0.78 BACE1 (0.45) BACE1PRKCIVCPPDGFRBKDR
SCHEMBL7944983 0.78 BACE1 (0.45) BACE1PRKCIVCPKITBRAF
SCHEMBL7935620 0.78 BACE1 (0.53) BACE1PRKCI
SCHEMBL7935774 0.76 BACE1 (0.43) BACE1PRKCIVCPPDGFRBKDR
SCHEMBL12445797 0.76 F10 (0.34) PRKCIF10CISD2
SCHEMBL7945397 0.75 BACE1 (0.49) BACE1PRKCIVCPKITBRAF

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 2747/4885F10 3308/4885

“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.