SCHEMBL16000474

SCHEMBL16000474

CC(C)NC1CCN(C(=O)c2cccc3ncccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.55
▸ SYK P43405 1/20 0.48
▸ FNTA P49354 2/20 0.46
▸ FNTB P49356 2/20 0.46
▸ PREP P48147 2/20 0.45
▸ CYP2C9 P11712 3/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ HCRTR2 O43614 1/20 0.43
▸ CCKBR P32239 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CTSB P07858 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
SCHEMBL13826433 0.92 CHRM2 (0.57) CHRM2SYKPREPCYP2C9FAP
SCHEMBL16002957 0.88 CHRM2 (0.52) CHRM2SYKFNTAFNTBPREP
SCHEMBL16000488 0.84 SYK (0.49) CHRM2SYKPREPEPHX2FAP
SCHEMBL13826105 0.82 CHRM2 (0.54) CHRM2SYKPREPEPHX2HCRTR2
SCHEMBL16000475 0.82 SYK (0.49) SYKALDH1A1
SCHEMBL13826416 0.82 ALDH1A1 (0.56) CHRM2ALDH1A1LMNA
SCHEMBL16002921 0.80 CHRM2 (0.52) CHRM2SYKPREPCYP2C9FAP
SCHEMBL13826451 0.76 SYK (0.47) SYKALDH1A1
SCHEMBL16000522 0.76 PAK1 (0.50) CHRM2
SCHEMBL16000517 0.76 DPP4 (0.54) SYKLMNA

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 CHRM2 788/4885SYK 1/4885FNTA 1992/4885

“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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