SCHEMBL16002964

SCHEMBL16002964

CNC1CCN(C(=O)c2ccccc2C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC9A1 P19634 1/20 0.45
CYP2C19 P33261 1/20 0.45
SYK P43405 1/20 0.45
POLB P06746 2/20 0.44
TP53BP1 Q12888 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMO Q99835 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE2A O00408 1/20 0.43
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL16000518 0.87 HSD11B1 (0.57) HSD11B1HCRTR1HCRTR2ALDH1A1CYP2D6
SCHEMBL28292405 0.82 HSD11B1 (0.55) HSD11B1ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL10293586 0.80 MGLL (0.54) ALDH1A1CYP2C9CYP2C19POLBTP53BP1
SCHEMBL4599304 0.79 HSD11B1 (0.59) HSD11B1HCRTR1HCRTR2ALDH1A1TP53BP1
SCHEMBL16002961 0.79 RAB9A (0.67) HSD11B1ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL16002994 0.78 SYK (0.47) ALDH1A1SYKL3MBTL1
SCHEMBL3092100 0.77 HSD11B1 (0.56) HSD11B1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL16003041 0.77 HTT (0.65) HSD11B1ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL16002986 0.77 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19SYKPOLB
SCHEMBL16002915 0.77 ALDH1A1 (0.57) ALDH1A1POLBKMT2A

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 2 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

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 HSD11B1 2470/4885HCRTR1 4159/4885HCRTR2 4064/4885

“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.