SCHEMBL13826474

SCHEMBL13826474

CC(C)NC1CCN(C(=O)c2cccc(C#N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
SLC9A1 P19634 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL3 Q96JM7 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAMPT P43490 1/20 0.47
EPHX2 P34913 2/20 0.46
FASN P49327 1/20 0.46
ACACB O00763 3/20 0.46
SYK P43405 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACKR3 P25106 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL16002935 0.88 KDM1A (0.53) MGLLCYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL13503777 0.85 MGLL (0.50) MGLLMEN1GAAHTTKMT2A
SCHEMBL13826413 0.85 EPHX2 (0.62) L3MBTL3EPHX2FASN
SCHEMBL13503967 0.83 ACHE (0.61) MGLLCYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL13825989 0.82 MGLL (0.61) MGLLL3MBTL3L3MBTL1
SCHEMBL16000516 0.81 L3MBTL1 (0.61) MGLLMEN1GAAHTTKMT2A
SCHEMBL13825970 0.81 MGLL (0.60) MGLLMEN1KMT2ACYP2C19L3MBTL1
SCHEMBL16000482 0.81 L3MBTL3 (0.53) MGLLMEN1GAAHTTKMT2A
SCHEMBL3634940 0.80 HPGD (0.60) MEN1GAAHTTKMT2ACYP3A4
SCHEMBL13826437 0.80 MLNR (0.52) MGLLCYP3A4L3MBTL1NAMPTSYK

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 MGLL 4542/4885MEN1 4847/4885GAA 1642/4885

“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.