SCHEMBL16002985

SCHEMBL16002985

CNC1CCN(C(=O)c2nccc3ncccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.50
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ EPHX1 P07099 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ TGM2 P21980 1/20 0.38

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
SCHEMBL16000488 0.88 SYK (0.49) SYKNOS3NOS1NOS2EPHX2
SCHEMBL16002960 0.84 CCR3 (0.51) SYKNOS3NOS1NOS2EPHX2
SCHEMBL16002957 0.83 CHRM2 (0.52) SYKEPHX2HCRTR2CHRM2
SCHEMBL16002921 0.81 CHRM2 (0.52) SYKCHRM2TACR1
SCHEMBL16002936 0.77 PLK1 (0.55) SYK
SCHEMBL16002983 0.76 SYK (0.51) SYKTACR1
SCHEMBL1806957 0.75 ALDH1A1 (0.47) EPHX2CHRM2
SCHEMBL16003044 0.74 EPHX2 (0.68) NOS2EPHX2EPHX1KDM5A
SCHEMBL13866413 0.73 EPHX1 (0.55) EPHX2EPHX1
SCHEMBL13866415 0.73 GAA (0.60) EPHX2EPHX1

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 1/4885NOS3 513/4885NOS1 187/4885

“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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