SCHEMBL7945393

SCHEMBL7945393

Cc1c(C(=O)Nc2ccnc(CNc3cccnc3N)c2)oc2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
NPC1 O15118 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.48
BACE1 P56817 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7934104 0.92 RAB9A (0.47) RAB9ANPC1L3MBTL1BACE1RXFP1
SCHEMBL7935759 0.91 RAB9A (0.51) RAB9ANPC1RXFP1KMT2ALMNA
SCHEMBL7943409 0.90 RAB9A (0.45) RAB9ANPC1BACE1RXFP1KMT2A
SCHEMBL7946785 0.90 RAB9A (0.50) RAB9ANPC1RXFP1KMT2ALMNA
SCHEMBL7944977 0.90 RXFP1 (0.50) RAB9ANPC1BACE1RXFP1POLB
SCHEMBL7945003 0.89 RAB9A (0.56) RAB9ANPC1L3MBTL1RXFP1POLB
SCHEMBL7943411 0.88 NPC1 (0.57) RAB9ANPC1L3MBTL1RXFP1KMT2A
SCHEMBL7944489 0.88 RAB9A (0.59) RAB9ANPC1L3MBTL1BACE1RXFP1
SCHEMBL7944704 0.86 RAB9A (0.54) RAB9ANPC1L3MBTL1BACE1RXFP1
SCHEMBL7946790 0.83 RAB9A (0.55) RAB9ANPC1L3MBTL1BACE1RXFP1

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 431/4885L3MBTL1 1951/4885

“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.