SCHEMBL6202783

SCHEMBL6202783

NC(=O)c1ccc2nccc(N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.56
NR4A2 P43354 2/20 0.54
NCF1 P14598 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MET P08581 1/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
CSNK2A1 P68400 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
SOS2 Q07890 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
NNMT P40261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IP6K1 Q92551 1/20 0.41
TGFB1 P01137 1/20 0.39
AR P10275 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
SCHEMBL6204491 0.88 SMYD3 (0.60) SMYD3NR4A2NCF1KDM4ESOS2
SCHEMBL440165 0.86 SMYD3 (0.59) SMYD3NR4A2NCF1KDM4ESOS2
SCHEMBL5522936 0.86 NR4A2 (0.54) SMYD3NR4A2NCF1MKNK1MKNK2
SCHEMBL11159299 0.85 SMYD3 (0.54) SMYD3NR4A2NCF1KDM4ESOS2
SCHEMBL27597844 0.83 LCK (0.44) SMYD3MKNK1MKNK2KDM4EMET
SCHEMBL7230935 0.81 MAP4K4 (0.43) SMYD3NR4A2MKNK1MKNK2KDM4E
SCHEMBL21620547 0.81 KDM4E (0.47) MKNK1MKNK2KDM4EMETAXL
SCHEMBL25493524 0.81 ALOX15 (0.56) SMYD3NR4A2KDM4EKDM5CSMN1; SMN2
SCHEMBL24003928 0.79 MET (0.49) SMYD3MKNK1MKNK2KDM4EMET
SCHEMBL22304201 0.79 KDM4E (0.44) MKNK1MKNK2KDM4EMETAXL

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-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R SMYD3 2633/4885NR4A2 2037/4885NCF1 4005/4885

“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.