SCHEMBL14969731

SCHEMBL14969731

Cc1cc(N2CCN(C(=O)C(C)Nc3c(-c4ccc(N(C)C)cc4)nc4cnccn34)CC2)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.45
GAA P10253 8/20 0.45
MAPT P10636 6/20 0.45
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
BRD4 O60885 2/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
TLR9 Q9NR96 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL10048667 0.93 NCF1 (0.50) NCF1GAAMAPTKDM4ENPC1
SCHEMBL14963736 0.91 NCF1 (0.47) NCF1GAAMAPTRXFP1KDM4E
SCHEMBL10049220 0.90 NCF1 (0.45) NCF1GAAMAPTRXFP1TP53
SCHEMBL14963779 0.87 NCF1 (0.43) NCF1GAAMAPTKDM4ENPC1
SCHEMBL10049205 0.86 GAA (0.46) NCF1GAAMAPTRXFP1TP53
SCHEMBL14963738 0.84 GAA (0.54) GAAMAPTRXFP1TP53KDM4E
SCHEMBL10049196 0.83 GAA (0.51) GAAMAPTRXFP1TP53KDM4E
SCHEMBL10049199 0.83 GAA (0.47) GAAMAPTRXFP1TP53KDM4E
SCHEMBL14963741 0.83 GAA (0.55) GAAMAPTRXFP1TP53KDM4E
SCHEMBL10049200 0.83 GAA (0.55) GAAMAPTRXFP1TP53KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 NCF1 299/4885GAA 1859/4885MAPT 4606/4885

“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.