SCHEMBL7935583

SCHEMBL7935583

Nc1ncccc1NCc1cccc(NC(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.59
SENP1 Q9P0U3 3/20 0.57
SENP5 Q96HI0 2/20 0.57
SENP2 Q9HC62 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
HDAC2 Q92769 2/20 0.48
HDAC1 Q13547 4/20 0.45
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
DHPS P49366 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7934108 0.86 HDAC2 (0.46) BACE1SENP1SENP5SENP2SIRT2
SCHEMBL7941948 0.86 BACE1 (0.58) BACE1SENP1SENP5SENP2SIRT2
SCHEMBL7940454 0.84 HDAC2 (0.46) BACE1SENP1SENP5SENP2SIRT2
SCHEMBL7942164 0.83 BACE1 (0.59) BACE1HDAC2HDAC1HDAC4HDAC6
SCHEMBL7942148 0.82 BACE1 (0.61) BACE1SENP1SENP5SENP2HDAC2
SCHEMBL7941663 0.80 BACE1 (0.58) BACE1SIRT2SIRT1SIRT3
SCHEMBL7942432 0.80 BACE1 (0.69) BACE1SIRT2SIRT1SIRT3HDAC2
SCHEMBL7942027 0.80 BACE1 (0.58) BACE1SENP1SENP5SENP2HDAC2
SCHEMBL7942157 0.80 BACE1 (0.60) BACE1HDAC4MEF2DHDAC6
SCHEMBL7939649 0.80 BACE1 (0.68) BACE1

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 1/4885SENP1 73/4885SENP5 300/4885

“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.