SCHEMBL1612966

SCHEMBL1612966

COc1cnc(N)nc1-c1c[nH]c2ccc(C#CC3(O)CCCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 9/20 0.56
PIKFYVE Q9Y2I7 2/20 0.56
CHUK O15111 1/20 0.46
TTBK1 Q5TCY1 1/20 0.43
CLK1 P49759 5/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAK4 O96013 1/20 0.41

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
SCHEMBL1614473 0.91 MAP3K14 (0.70) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1611663 0.89 MAP3K14 (0.70) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1614224 0.89 MAP3K14 (0.67) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1613955 0.88 MAP3K14 (0.57) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1613250 0.88 MAP3K14 (0.57) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1611752 0.87 MAP3K14 (0.56) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1612318 0.86 MAP3K14 (0.55) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1613665 0.84 MAP3K14 (0.50) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1613152 0.84 MAP3K14 (0.67) MAP3K14PIKFYVECHUKTTBK1CLK1
SCHEMBL1614177 0.83 MAP3K14 (0.51) MAP3K14PIKFYVECHUKTTBK1CLK1

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 MAP3K14 17/4885PIKFYVE 126/4885CHUK 28/4885

“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.