SCHEMBL13826451

SCHEMBL13826451

CC(C)NC1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.47
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TP53BP1 Q12888 2/20 0.41
▸ L3MBTL3 Q96JM7 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MBTD1 Q05BQ5 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PAK1 Q13153 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
SCHEMBL16002923 0.88 SYK (0.48) SYKHTTTSHRALDH1A1HPGD
SCHEMBL13826416 0.81 ALDH1A1 (0.56) HTTALDH1A1TP53BP1L3MBTL3L3MBTL1
SCHEMBL16000474 0.76 CHRM2 (0.55) SYKALDH1A1
SCHEMBL16000501 0.75 TDP1 (0.64) ALDH1A1KMT2ARAB9APOLBMEN1
SCHEMBL16000509 0.73 HTT (0.66) HTTTSHRALDH1A1KMT2APOLB
SCHEMBL16000490 0.73 KMT2A (0.48) SYKHTTTSHRALDH1A1TP53BP1
SCHEMBL13825988 0.73 GFER (0.57) ALDH1A1L3MBTL1RAB9APOLB
SCHEMBL13826099 0.73 GLA (0.68) SYKHTTALDH1A1HPGDKMT2A
SCHEMBL16000518 0.72 HSD11B1 (0.57) SYKALDH1A1TP53BP1L3MBTL3L3MBTL1
SCHEMBL13826433 0.72 CHRM2 (0.57) 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 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 SYK 1/4885HTT 4865/4885TSHR 2275/4885

“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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