SCHEMBL13826412

SCHEMBL13826412

Cc1[nH]c2ccccc2c1CC(=O)N1CCC(NC(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 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
SCHEMBL16003084 0.89 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13825982 0.78 SYK (0.50) KDM4EALDH1A1MAPTSYKMEN1
SCHEMBL13825985 0.78 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13825994 0.76 DRD2 (0.49) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL14487344 0.75 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7875169 0.73 CACNA2D1 (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL24433140 0.73 ALDH1A1 (0.64) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13825990 0.72 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13826452 0.72 HRH3 (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13826657 0.72 MAPK1 (0.56) KDM4EALDH1A1MEN1KMT2A

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 KDM4E 1409/4885ALDH1A1 1515/4885HSD17B10 4135/4885

“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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