SCHEMBL1614010

SCHEMBL1614010

COC(C)(OC)c1ncc(C=O)s1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KCNJ1 P48048 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL12714343 0.86 TDP1 (0.39) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL11900275 0.81 TDP1 (0.43) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL31595924 0.78 TDP1 (0.41) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL2520194 0.78 TDP1 (0.41) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL31595820 0.78 TDP1 (0.41) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL2517149 0.74 TDP1 (0.38) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL9568936 0.73 ALDH1A1 (0.42) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL29552740 0.73
SCHEMBL30036163 0.72 TDP1 (0.37) TDP1ALDH1A1KCNJ1KDM4EMAPT
SCHEMBL1813917 0.72

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
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 TDP1 925/4885ALDH1A1 1373/4885KCNJ1 3921/4885

“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.