SCHEMBL1613084

SCHEMBL1613084

COCCN(C)C1CCn2c1c(C(C)=O)c1cc(Br)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
BAZ2B Q9UIF8 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
BCHE P06276 1/20 0.33
DNM1 Q05193 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR6 P50406 2/20 0.32
IDO1 P14902 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13575039 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EGAAMAPK1
SCHEMBL12713873 0.77 DYRK1A (0.35) MEN1KMT2A
SCHEMBL1613780 0.77 DYRK1A (0.35) MEN1KMT2A
SCHEMBL12713872 0.77 DYRK1A (0.35) MEN1KMT2A
SCHEMBL1613882 0.73 BCHE (0.34) MAPTBCHEKDM4EITK
SCHEMBL13575036 0.73 BCHE (0.34) MAPTBCHEKDM4EITK
SCHEMBL1449249 0.62 L3MBTL3 (0.49) KMT2A
SCHEMBL1449252 0.62 L3MBTL3 (0.49) KMT2A
Hydrochloric Acid SCHEMBL10727513 0.60 MEN1 (0.45) MEN1KMT2AMAPTDNM1SMN1; SMN2
SCHEMBL1613883 0.59 CYP2D6 (0.32) BCHE

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 6 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
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 MEN1 4123/4885KMT2A 2087/4885MAPT 2056/4885

“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.