SCHEMBL13736733

SCHEMBL13736733

O=C(O)C1CCC(C(=O)c2ccc(Br)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
PPARG P37231 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL15990725 1.00 KDM4E (0.56) KDM4EALDH1A1POLBABL1SMN1; SMN2
SCHEMBL13737314 1.00 KDM4E (0.56) KDM4EALDH1A1POLBABL1SMN1; SMN2
SCHEMBL15991159 0.82 ALDH1A1 (0.46) KDM4EALDH1A1ABL1SMN1; SMN2HTT
SCHEMBL15990673 0.82 ALDH1A1 (0.46) KDM4EALDH1A1ABL1SMN1; SMN2HTT
SCHEMBL13826035 0.82 ALDH1A1 (0.46) KDM4EALDH1A1ABL1SMN1; SMN2HTT
SCHEMBL13737235 0.78 KDM4E (0.53) KDM4EALDH1A1POLBSMN1; SMN2GLA
SCHEMBL4917168 0.78 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2GLAHTT
SCHEMBL4887817 0.78 ALDH1A1 (0.53) KDM4EALDH1A1POLBSMN1; SMN2GLA
SCHEMBL30856730 0.77 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL390175 0.77 KDM4E (0.47) KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706852-B1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-22 EP disclosed
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
EP-2706852-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP 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 1515/4885POLB 1761/4885

“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.