SCHEMBL7935757

SCHEMBL7935757

Cc1nc(C)c(C(=O)Nc2ccnc(CNc3cccnc3N)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.48
BACE1 P56817 5/20 0.44
PRKCI P41743 1/20 0.43
F10 P00742 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
VCP P55072 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7941730 0.86 BACE1 (0.59) RAB9ANPC1SMN1; SMN2TP53RECQL
SCHEMBL7940531 0.84 BACE1 (0.49) RAB9ANPC1SMN1; SMN2TP53RECQL
SCHEMBL7932770 0.82 BACE1 (0.45) RAB9ANPC1SMN1; SMN2BACE1PRKCI
SCHEMBL7944983 0.82 BACE1 (0.45) BACE1PRKCIVCP
SCHEMBL7942773 0.80 BACE1 (0.41) BACE1PRKCIF10VCP
SCHEMBL7940384 0.80 BACE1 (0.44) RAB9ANPC1BACE1PRKCIVCP
SCHEMBL7945397 0.80 BACE1 (0.49) BACE1PRKCIVCP
SCHEMBL7932754 0.79 BACE1 (0.55) SMN1; SMN2BACE1PRKCIKMT2AMEN1
SCHEMBL7941414 0.79 HPGD (0.50) RAB9ANPC1SMN1; SMN2TP53BACE1
SCHEMBL7934692 0.79 BACE1 (0.48) 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 RAB9A 1287/4885NPC1 431/4885SMN1; SMN2 576/4885

“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.