SCHEMBL17660334

SCHEMBL17660334

Nc1nccc(-c2ccc(CN3CCOc4cc(C5CC5)cc(F)c4C3=O)c(F)c2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.45
MAPK1 P28482 1/20 0.39
BMX P51813 2/20 0.36

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
SCHEMBL17660392 0.94 BTK (0.45) BTKMAPK1BMX
SCHEMBL17660333 0.89 BTK (0.48) BTKMAPK1BMX
SCHEMBL17660395 0.89 BTK (0.46) BTKMAPK1BMX
SCHEMBL17660391 0.82 BTK (0.48) BTKMAPK1BMX
SCHEMBL17660332 0.80 BTK (0.51) BTKBMX
SCHEMBL17660394 0.78 BTK (0.49) BTKMAPK1BMX
SCHEMBL17645911 0.75 BTK (0.43) BTK
SCHEMBL17660376 0.74 BTK (0.40) BTK
SCHEMBL17645775 0.74 BTK (0.64) BTK
SCHEMBL17660328 0.73 BTK (0.49) BTK

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
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885MAPK1 1046/4885BMX 14/4885

“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.