SCHEMBL1611752

SCHEMBL1611752

Nc1ncc(Cl)c(-c2c[nH]c3ccc(C#CC4(O)CCCCC4)cc23)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 11/20 0.56
PIKFYVE Q9Y2I7 2/20 0.46
CHUK O15111 1/20 0.44
CLK1 P49759 5/20 0.43
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
TTBK1 Q5TCY1 1/20 0.41
PAK4 O96013 1/20 0.41
CCNT1 O60563 1/20 0.37
CCNK O75909 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL1613250 0.99 MAP3K14 (0.57) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1613955 0.88 MAP3K14 (0.57) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1612966 0.87 MAP3K14 (0.56) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1612318 0.86 MAP3K14 (0.55) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1614169 0.86 CDK2 (0.46) MAP3K14CHUKCCNT1CCNKCCNE1
SCHEMBL1614473 0.82 MAP3K14 (0.70) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL12743211 0.81 MAP3K14 (0.50) MAP3K14CLK1CDK5CDK5R1CCNT1
SCHEMBL1611663 0.81 MAP3K14 (0.70) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL1614224 0.80 MAP3K14 (0.67) MAP3K14PIKFYVECHUKCLK1CDK5
SCHEMBL12743223 0.80 MAP3K14 (0.51) MAP3K14CLK1CDK5CDK5R1CCNT1

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 3 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
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.