SCHEMBL7939288

SCHEMBL7939288

Cc1cc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)n(C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
PRKCI P41743 4/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
VCP P55072 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7939284 0.88 BACE1 (0.44) BACE1PRKCIGAAALDH1A1POLB
SCHEMBL7940333 0.87 BACE1 (0.56) BACE1GAAALDH1A1TDP1MEN1
SCHEMBL7944276 0.85 GAA (0.41) BACE1GAAALDH1A1TDP1ATM
SCHEMBL7940381 0.80 MEN1 (0.46) BACE1PRKCIALDH1A1VCPGRM4
SCHEMBL7940383 0.79 BACE1 (0.49) BACE1PRKCIGAAALDH1A1MEN1
SCHEMBL7942253 0.78 BACE1 (0.58) BACE1PRKCIGAAALDH1A1TDP1
SCHEMBL7941376 0.78 BACE1 (0.42) BACE1PRKCIALDH1A1VCPMEN1
SCHEMBL7944281 0.77 ALOX12 (0.53) BACE1PRKCIALDH1A1L3MBTL1POLB
SCHEMBL7932754 0.77 BACE1 (0.55) BACE1PRKCIALDH1A1VCPGRM4
SCHEMBL7944983 0.76 BACE1 (0.45) BACE1PRKCIVCP

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 2747/4885GAA 613/4885

“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.