SCHEMBL7939629

SCHEMBL7939629

CCSc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.54
PRKCI P41743 4/20 0.44
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
VCP P55072 2/20 0.36
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL7933259 0.91 BACE1 (0.56) BACE1PRKCIHDAC3NCOR1HDAC1
SCHEMBL7944481 0.87 BACE1 (0.71) BACE1HDAC3NCOR1HDAC1HDAC2
SCHEMBL7942253 0.86 BACE1 (0.58) BACE1PRKCIALDH1A1HPGDHTT
SCHEMBL7946733 0.85 BACE1 (0.52) BACE1HDAC3NCOR1HDAC1HDAC2
SCHEMBL7943507 0.85 BACE1 (0.57) BACE1PRKCIHDAC3NCOR1HDAC1
SCHEMBL7942788 0.84 BACE1 (0.65) BACE1PRKCI
SCHEMBL7940587 0.83 BACE1 (0.77) BACE1PRKCI
SCHEMBL7941004 0.83 BACE1 (0.54) BACE1PRKCIHDAC3NCOR1HDAC1
SCHEMBL7945144 0.83 BACE1 (0.67) BACE1PRKCI
SCHEMBL7932754 0.83 BACE1 (0.55) BACE1PRKCIHDAC3HDAC1HDAC2

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 2747/4885HDAC3 805/4885

“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.