SCHEMBL16002968

SCHEMBL16002968

CNC1CCN(C(=O)Cc2cccc(OC)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.62
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ DRD4 P21917 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL16002953 0.88 CCR8 (0.56) SIGMAR1L3MBTL1POLBSYK
SCHEMBL13826659 0.88 SIGMAR1 (0.60) SIGMAR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16002916 0.87 SMN1; SMN2 (0.56) SIGMAR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16003083 0.84 SIGMAR1 (0.53) SIGMAR1KMT2AMEN1L3MBTL1POLB
SCHEMBL16003002 0.82 SIGMAR1 (0.55) SIGMAR1KMT2AMEN1L3MBTL1POLB
SCHEMBL13182998 0.82 ALDH1A1 (0.66) SIGMAR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16002918 0.80 HDAC3 (0.55) SIGMAR1KMT2AMEN1L3MBTL1SYK
SCHEMBL16002967 0.80 MLNR (0.54) L3MBTL1POLBSYK
SCHEMBL16002963 0.80 MEN1 (0.69) SIGMAR1KMT2AMEN1POLBOPRK1
SCHEMBL16002988 0.79 EPHX2 (0.56) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1

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 2 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

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 SIGMAR1 2509/4885KMT2A 2649/4885MEN1 4847/4885

“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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