SCHEMBL16002957

SCHEMBL16002957

CNC1CCN(C(=O)c2cccc3ncccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.52
▸ SYK P43405 2/20 0.49
▸ FNTA P49354 2/20 0.48
▸ FNTB P49356 2/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ HCRTR2 O43614 1/20 0.45
▸ PREP P48147 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ HSD11B1 P28845 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
SCHEMBL16002921 0.91 CHRM2 (0.52) CHRM2SYKPREPCYP2C9CCR3
SCHEMBL16000474 0.88 CHRM2 (0.55) CHRM2SYKFNTAFNTBEPHX2
SCHEMBL16002985 0.83 SYK (0.50) CHRM2SYKEPHX2HCRTR2
SCHEMBL16003034 0.81 HTR2A (0.53) CHRM2SYKFNTAFNTBHCRTR2
SCHEMBL16002983 0.81 SYK (0.51) SYK
SCHEMBL16002915 0.81 ALDH1A1 (0.57) —
SCHEMBL13826433 0.80 CHRM2 (0.57) CHRM2SYKPREPCYP2C9CCR3
SCHEMBL29895679 0.76 KMT2A (0.56) —
SCHEMBL1809758 0.75 CHRM2 (0.58) CHRM2FNTAFNTBEPHX2HCRTR2
SCHEMBL16002923 0.75 SYK (0.48) SYK

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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