SCHEMBL16000488

SCHEMBL16000488

CC(C)NC1CCN(C(=O)c2nccc3ncccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ CHRM2 P08172 3/20 0.43
▸ KDM5A P29375 3/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ TACR1 P25103 3/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ EPHX1 P07099 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
SCHEMBL16002985 0.88 SYK (0.50) SYKCHRM2KDM5AEPHX2MGLL
SCHEMBL16000500 0.85 CHRM2 (0.54) SYKTLR9TLR8TLR7CHRM2
SCHEMBL16000474 0.84 CHRM2 (0.55) SYKCHRM2EPHX2CTSBPREP
SCHEMBL13826433 0.82 CHRM2 (0.57) SYKCHRM2PREPFAP
SCHEMBL16000517 0.78 DPP4 (0.54) SYK
SCHEMBL16000475 0.77 SYK (0.49) SYK
SCHEMBL13826473 0.76 CYP3A4 (0.57) TLR9TLR8TLR7KDM5AEPHX2
SCHEMBL16000511 0.75 GAA (0.59) KDM5AEPHX2EPHX1
SCHEMBL16000514 0.75 EPHX2 (0.69) KDM5AEPHX2NOS2EPHX1
SCHEMBL1806957 0.73 ALDH1A1 (0.47) CHRM2EPHX2

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 SYK 1/4885TLR9 139/4885TLR8 867/4885

“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.

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