SCHEMBL1613636

SCHEMBL1613636

Nc1ncc(OCCOCCN2CCOCC2)c(-c2c[nH]c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 8/20 0.51
PIKFYVE Q9Y2I7 1/20 0.51
KIT P10721 1/20 0.37
CHUK O15111 1/20 0.37
EGFR P00533 1/20 0.36
CLK1 P49759 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
PAK4 O96013 1/20 0.33
PAK1 Q13153 1/20 0.33
PAK2 Q13177 1/20 0.33
PKN1 Q16512 1/20 0.33
PAK6 Q9NQU5 1/20 0.33
PAK5 Q9P286 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
SCHEMBL1614177 0.96 MAP3K14 (0.51) MAP3K14PIKFYVEKITCHUKEGFR
SCHEMBL1614224 0.86 MAP3K14 (0.67) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1614473 0.84 MAP3K14 (0.70) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1613152 0.83 MAP3K14 (0.67) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1611663 0.82 MAP3K14 (0.70) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1613156 0.82 CLK1 (0.53) MAP3K14PIKFYVEKITEGFRCLK1
SCHEMBL13575090 0.81 MAP3K14 (0.43) MAP3K14PIKFYVEKITEGFRCLK1
SCHEMBL1612966 0.80 MAP3K14 (0.56) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1613363 0.77 CLK1 (0.54) MAP3K14PIKFYVEKITCLK1PIM1
SCHEMBL1613955 0.76 MAP3K14 (0.57) MAP3K14PIKFYVECHUKCLK1CDK5

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 MAP3K14 17/4885PIKFYVE 126/4885KIT 1914/4885

“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.