SCHEMBL13826433

SCHEMBL13826433

CC(C)NC1CCN(C(=O)c2ccnc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.57
▸ PREP P48147 6/20 0.51
▸ FAP Q12884 5/20 0.51
▸ CCR3 P51677 2/20 0.49
▸ SYK P43405 1/20 0.48
▸ PDE2A O00408 1/20 0.48
▸ CYP2C9 P11712 2/20 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
SCHEMBL16000474 0.92 CHRM2 (0.55) CHRM2PREPFAPSYKCYP2C9
SCHEMBL16002921 0.88 CHRM2 (0.52) CHRM2PREPFAPCCR3SYK
SCHEMBL16000488 0.82 SYK (0.49) CHRM2PREPFAPSYK
SCHEMBL21384595 0.82 CHRM2 (0.54) CHRM2PREPFAPCCR3PDE2A
SCHEMBL13826416 0.80 ALDH1A1 (0.56) CHRM2
SCHEMBL31395273 0.80 KMT2A (0.60) CHRM2CCR3PDE2ACYP2C9
SCHEMBL16002957 0.80 CHRM2 (0.52) CHRM2PREPCCR3SYKCYP2C9
SCHEMBL16000500 0.79 CHRM2 (0.54) CHRM2CCR3SYKPDE2A
SCHEMBL21381377 0.78 CHRM2 (0.57) CHRM2FAPCCR3SYKPDE2A
SCHEMBL21384601 0.76 IDO1 (0.54) CHRM2CCR3CYP2C9

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 CHRM2 788/4885PREP 542/4885FAP 1272/4885

“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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