SCHEMBL13825971

SCHEMBL13825971

Cc1ccc2ncc(C(=O)N3CCC(NC(C)C)CC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.52
▸ CCNA2 P20248 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CDK7 P50613 4/20 0.45
▸ CCNH P51946 4/20 0.45
▸ MNAT1 P51948 4/20 0.45
▸ CCNK O75909 3/20 0.45
▸ CDK12 Q9NYV4 3/20 0.45
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ PAK1 Q13153 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL16002959 0.89 SYK (0.53) SYKCCNA2CDK2CDK7CCNH
SCHEMBL13826660 0.86 DPP4 (0.54) SYKCAPN1HPGDSDPP4
SCHEMBL16000517 0.79 DPP4 (0.54) SYKHPGDCAPN1DPP4
SCHEMBL13826661 0.77 HPGD (0.52) SYKCDK2TLR9TLR8TLR7
SCHEMBL16002871 0.74 DPP4 (0.54) SYKCAPN1HPGDSDPP4
SCHEMBL13826473 0.74 CYP3A4 (0.57) TLR9TLR8TLR7EPHX2KMT2A
SCHEMBL16000504 0.73 HPGD (0.66) SYKHPGDKMT2A
SCHEMBL13826112 0.72 NPC1 (0.69) HPGDCAPN1
SCHEMBL16000513 0.72 ROCK2 (0.58) HPGD
SCHEMBL13826409 0.71 HPGD (0.54) SYKHPGD

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 1/4885CCNA2 1917/4885CDK2 185/4885

“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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