SCHEMBL13826099

SCHEMBL13826099

CC(C)NC1CCN(C(=O)c2cccc3c2C(=O)c2ccccc2-3)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.68
▸ ALDH1A1 P00352 6/20 0.62
▸ LMNA P02545 4/20 0.62
▸ POLB P06746 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL16002955 0.89 GLA (0.66) GLAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL13826070 0.83 POLB (0.67) GLAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3457699 0.82 GLA (1.00) GLAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL13825996 0.79 POLB (0.48) GLAPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL13826416 0.79 ALDH1A1 (0.56) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL16000501 0.78 TDP1 (0.64) ALDH1A1POLBKMT2AMEN1TDP1
SCHEMBL14095110 0.77 SMN1; SMN2 (0.71) GLAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL30610018 0.76 SMN1; SMN2 (0.89) GLAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL16000509 0.76 HTT (0.66) ALDH1A1LMNAPOLBKMT2AHTT
SCHEMBL16000490 0.76 KMT2A (0.48) ALDH1A1LMNAPOLBSMN1; SMN2TP53

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 GLA 3125/4885ALDH1A1 1515/4885LMNA 4824/4885

“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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