SCHEMBL13826437

SCHEMBL13826437

CC(C)NC1CCN(C(=O)Cc2cccc(C#N)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.52
CYP3A4 P08684 1/20 0.52
SYK P43405 1/20 0.47
POLB P06746 1/20 0.47
MGLL Q99685 2/20 0.47
NAMPT P43490 2/20 0.47
EPHX1 P07099 1/20 0.46
DPP7 Q9UHL4 3/20 0.45
DPP4 P27487 2/20 0.45
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
FAAH O00519 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL16002967 0.88 MLNR (0.54) MLNRCYP3A4SYKPOLBMGLL
SCHEMBL16000510 0.86 MLNR (0.57) MLNRCYP3A4SYK
SCHEMBL16000507 0.83 POLB (0.51) SYKPOLBL3MBTL1
SCHEMBL13826667 0.82 EPHX2 (0.53) SYKPOLB
SCHEMBL12384520 0.82 MGLL (0.46) MLNRCYP3A4POLBMGLLNAMPT
SCHEMBL13826659 0.81 SIGMAR1 (0.60) POLBL3MBTL1
SCHEMBL15014545 0.80 MLNR (0.50) MLNRCYP3A4SYKPOLBMGLL
SCHEMBL13826474 0.80 MGLL (0.49) CYP3A4SYKMGLLNAMPTEPHX1
SCHEMBL16000512 0.80 MEN1 (0.70) MLNRCYP3A4SYKPOLB
SCHEMBL16000502 0.79 CCR8 (0.54) SYKFAAHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK MLNR 1346/4885CYP3A4 646/4885SYK 1/4885

“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.