SCHEMBL16002863

SCHEMBL16002863

CNC1CCN(C(=O)Cc2ccc3[nH]c(C)c(C)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.51
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13825982 0.89 SYK (0.50) SYKKMT2AMEN1RAB9ANPC1
SCHEMBL16003085 0.81 NPC1 (0.70) SYKKMT2AMEN1RAB9ANPC1
SCHEMBL16003084 0.77 KDM4E (0.53) SYKKMT2AMEN1RAB9ANPC1
SCHEMBL16002877 0.74 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16002918 0.74 HDAC3 (0.55) SYKKMT2AMEN1L3MBTL1
SCHEMBL16002910 0.73 ROCK2 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16003039 0.73 GFER (0.53) KMT2AMEN1RAB9ANPC1GFER
SCHEMBL16002874 0.73 SIGMAR1 (0.54) SYKKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16002966 0.73 SYK (0.48) SYKKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2843964 0.73 SYK (0.41) SYKKMT2AMEN1RAB9ANPC1

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 SYK 1/4885KMT2A 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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