SCHEMBL17664671

SCHEMBL17664671

CN1CCc2cc(C3CC3)cc(F)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
BTK Q06187 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GRM5 P41594 1/20 0.33
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
DRD2 P14416 2/20 0.31

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
SCHEMBL17660266 0.82 BTK (0.33) BTKHTR2AHTR2CHTR2B
SCHEMBL17664672 0.76 BTK (0.39) BTK
SCHEMBL16375196 0.71 MEN1 (0.38) MEN1KMT2AGAASMN1; SMN2DRD2
SCHEMBL13139793 0.70 PARP10 (0.41) GRM5PARP1
SCHEMBL19752740 0.68 MEN1 (0.37) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL13139310 0.65 HTR2A (0.44) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL31064668 0.65 PRKCG (0.33)
SCHEMBL25256410 0.63 MEN1 (0.41) MEN1KMT2AHTR2CGRM5DRD3
SCHEMBL12559535 0.63 MEN1 (0.55) MEN1KMT2ADDB1CRBNGRM5
SCHEMBL5986824 0.63 MEN1 (0.55) MEN1KMT2ADDB1CRBNGRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3793/4885KMT2A 1014/4885DDB1 1392/4885

“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.