SCHEMBL7940566

SCHEMBL7940566

C/C=C/COc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.60
PRKCI P41743 1/20 0.39
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7943502 0.93 BACE1 (0.60) BACE1PRKCITMEM97SIGMAR1BACE2
SCHEMBL7935754 0.89 BACE1 (0.50) BACE1PRKCIBACE2
SCHEMBL7942788 0.89 BACE1 (0.65) BACE1PRKCITMEM97SIGMAR1BACE2
SCHEMBL7940764 0.88 BACE1 (0.78) BACE1
SCHEMBL7940587 0.88 BACE1 (0.77) BACE1PRKCIBACE2
SCHEMBL7941611 0.87 BACE1 (0.65) BACE1TMEM97SIGMAR1BACE2CYP2D6
SCHEMBL7945144 0.87 BACE1 (0.67) BACE1PRKCITMEM97SIGMAR1BACE2
SCHEMBL7943510 0.87 BACE1 (0.78) BACE1PRKCITMEM97SIGMAR1
SCHEMBL7934099 0.86 BACE1 (0.66) BACE1PRKCITMEM97SIGMAR1BACE2
SCHEMBL7941641 0.86 BACE1 (0.62) BACE1PRKCITMEM97SIGMAR1BACE2

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 3 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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP 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 2747/4885TMEM97 2509/4885

“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.