SCHEMBL6889314

SCHEMBL6889314

CNCC(=O)c1cc(Cl)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4C Q9H3R0 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GRM5 P41594 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM4 Q14833 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CNR2 P34972 1/20 0.37
ANO1 Q5XXA6 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
SCHEMBL2537598 0.81 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL27911792 0.81 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL6890022 0.80 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL27028359 0.79 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL24443463 0.78 CCR1 (0.44) RAB9AGRM5GRM4KDM4EPYGL
SCHEMBL29689858 0.78 CCR1 (0.44) RAB9AGRM5GRM4KDM4EPYGL
SCHEMBL177518 0.77 KDM4C (0.62) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL30155195 0.77 KDM4C (0.62) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL6888866 0.77 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL21437805 0.77 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1KDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483268-B1 PYRIDINYL-IMIDAZOLONE DERIVATIVES FOR INHIBITING PI3 KINASES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
US-8802866-B2 Pyridinylimidazolone derivatives for the inhibition of PI3 kinases MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-20120220587-A1 PYRIDINYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF PI3 KINASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-30 US disclosed
WO-2011035855-A1 PYRIDINYL-IMIDAZOLONE DERIVATIVES FOR INHIBITING PI3 KINASES MERCK PATENT GMBH (DE) 2011-03-31 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-20120220587-A1 PYRIDINYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF PI3 KINASES PIK3R5, CDK20, PIK3R3 ALDH1A1 4310/4885MAPT 3523/4885L3MBTL1 906/4885

“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.