SCHEMBL7941890

SCHEMBL7941890

COc1ccc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.59
PRKCI P41743 1/20 0.43
GRM4 Q14833 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE2 Q9Y5Z0 3/20 0.42
ANO1 Q5XXA6 1/20 0.42

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
SCHEMBL7943419 0.92 BACE1 (0.61) BACE1PRKCIGRM4
SCHEMBL12301464 0.91 BACE1 (0.54) BACE1PRKCINPC1PKMRAB9A
SCHEMBL7935750 0.91 BACE1 (0.56) BACE1PRKCIGRM4
SCHEMBL7941383 0.88 RAB9A (0.53) BACE1NPC1PKMRAB9ASMN1; SMN2
SCHEMBL7941941 0.88 BACE1 (0.50) BACE1PRKCIGRM4BACE2
SCHEMBL7945394 0.88 BACE1 (0.50) BACE1GRM4NPC1MAPTRAB9A
SCHEMBL7940587 0.88 BACE1 (0.77) BACE1PRKCIBACE2
SCHEMBL7942895 0.87 BACE1 (0.62) BACE1PRKCIGRM4BACE2
SCHEMBL7935754 0.87 BACE1 (0.50) BACE1PRKCIGRM4BACE2
SCHEMBL7932754 0.87 BACE1 (0.55) BACE1PRKCIGRM4SMN1; SMN2BACE2

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 2747/4885GRM4 2438/4885

“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.