SCHEMBL7943510

SCHEMBL7943510

COCCOc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)cn1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.78
GRM4 Q14833 2/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRKCI P41743 1/20 0.41

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
SCHEMBL7945144 0.93 BACE1 (0.67) BACE1TMEM97SIGMAR1PRKCI
SCHEMBL7941936 0.92 BACE1 (0.67) BACE1GRM4TMEM97SIGMAR1PRKCI
SCHEMBL7934099 0.92 BACE1 (0.66) BACE1TMEM97SIGMAR1PRKCI
SCHEMBL7942785 0.92 BACE1 (0.66) BACE1TMEM97SIGMAR1PRKCI
SCHEMBL12302339 0.92 BACE1 (0.66) BACE1TMEM97SIGMAR1PRKCI
SCHEMBL7940587 0.92 BACE1 (0.77) BACE1PRKCI
SCHEMBL12301775 0.91 BACE1 (0.65) BACE1GRM4TMEM97SIGMAR1PRKCI
SCHEMBL7941611 0.91 BACE1 (0.65) BACE1TMEM97SIGMAR1
SCHEMBL7942788 0.91 BACE1 (0.65) BACE1TMEM97SIGMAR1PRKCI
SCHEMBL7944982 0.91 BACE1 (0.64) BACE1TMEM97SIGMAR1PRKCI

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 1/4885GRM4 2438/4885TMEM97 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.