SCHEMBL1613882

SCHEMBL1613882

COCCN(C)C1CCn2c1cc1cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 2/20 0.31
CHI3L1 P36222 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
S1PR1 P21453 2/20 0.30
ITK Q08881 1/20 0.30

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
SCHEMBL13575036 1.00 BCHE (0.34) BCHECYP2D6HRH1KCNH2MAPT
SCHEMBL1613084 0.73 MEN1 (0.35) BCHEMAPTKDM4EITK
SCHEMBL12713873 0.69 DYRK1A (0.35) CHI3L1
SCHEMBL1613780 0.69 DYRK1A (0.35) CHI3L1
SCHEMBL12713872 0.69 DYRK1A (0.35) CHI3L1
SCHEMBL27840663 0.69 S1PR1 (0.35) S1PR1
SCHEMBL1613883 0.66 CYP2D6 (0.32) BCHECYP2D6HRH1KCNH2CRHR1
SCHEMBL14746136 0.65 S1PR1 (0.33) MAPTS1PR1
SCHEMBL13575039 0.62 ALDH1A1 (0.33) KDM4E
SCHEMBL25403755 0.60 IRAK4 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 BCHE 2574/4885CYP2D6 3010/4885HRH1 926/4885

“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.