SCHEMBL7945003

SCHEMBL7945003

Cc1c(C(=O)Nc2ccnc(CNc3cccnc3N)c2)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 3/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.47
HCRTR1 O43613 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7935759 0.91 RAB9A (0.51) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7943409 0.90 RAB9A (0.45) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7945393 0.89 RAB9A (0.58) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7946785 0.89 RAB9A (0.50) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7944977 0.89 RXFP1 (0.50) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7943411 0.88 NPC1 (0.57) RAB9ANPC1RXFP1LMNASMN1; SMN2
SCHEMBL7944676 0.87 BACE1 (0.57) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7933478 0.85 RAB9A (0.53) RAB9ANPC1RXFP1LMNAMAPK1
SCHEMBL7934104 0.83 RAB9A (0.47) RAB9ANPC1RXFP1LMNAHTT
SCHEMBL7942072 0.83 NAMPT (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 431/4885RXFP1 2539/4885

“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.