SCHEMBL7941231

SCHEMBL7941231

Nc1ncccc1NCc1cc(NC(=O)c2cc3sccc3s2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.45
BACE1 P56817 5/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PRKCI P41743 4/20 0.41
TLK2 Q86UE8 2/20 0.41
POLB P06746 1/20 0.38
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL7941948 0.87 BACE1 (0.58) GAAALDH1A1BACE1HDAC1HDAC3
SCHEMBL7934108 0.86 HDAC2 (0.46) BACE1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7941994 0.84 GAA (0.42) GAAALDH1A1BACE1HDAC1HDAC3
SCHEMBL7941414 0.82 HPGD (0.50) ALDH1A1BACE1PRKCIPOLB
SCHEMBL7932770 0.82 BACE1 (0.45) BACE1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7940384 0.81 BACE1 (0.44) BACE1HDAC1PRKCIKITBRAF
SCHEMBL12303677 0.79 BACE1 (0.49) BACE1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7935774 0.79 BACE1 (0.43) ALDH1A1BACE1HDAC1HDAC3HDAC4
SCHEMBL7933492 0.78 BACE1 (0.51) BACE1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7944983 0.78 BACE1 (0.45) BACE1PRKCIKITBRAFSHMT2

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 GAA 613/4885ALDH1A1 1101/4885BACE1 1/4885

“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.