SCHEMBL1613155

SCHEMBL1613155

COc1cc(C#CC2(O)CCCC2)cc2c1ccn2-c1ccnc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.53
▸ PAK1 Q13153 1/20 0.53
▸ PAK2 Q13177 1/20 0.53
▸ PKN1 Q16512 1/20 0.53
▸ PAK6 Q9NQU5 1/20 0.53
▸ PAK5 Q9P286 1/20 0.53
▸ TTBK1 Q5TCY1 3/20 0.49
▸ MAP3K14 Q99558 5/20 0.46
▸ ROCK1 Q13464 4/20 0.44
▸ CDC7 O00311 5/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL1613551 0.90 PAK4 (0.55) PAK4PAK1PAK2PKN1PAK6
SCHEMBL1613483 0.87 MAP3K14 (0.48) PAK4PAK1PAK2PKN1PAK6
SCHEMBL1613405 0.83 MAP3K14 (0.44) PAK4PAK1PAK2PKN1PAK6
SCHEMBL24153194 0.82 CDC7 (0.60) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12742513 0.82 ROCK1 (0.49) TTBK1MAP3K14ROCK1CDC7CDK2
SCHEMBL1613992 0.82 PAK4 (0.46) PAK4PAK1PAK2PKN1PAK6
SCHEMBL28688403 0.79 CDC7 (0.62) PAK4PAK1PAK2PKN1PAK6
SCHEMBL24152424 0.78 PAK4 (0.55) PAK4PAK1PAK2PKN1PAK6
SCHEMBL24153382 0.76 PAK4 (0.53) PAK4PAK1PAK2PKN1PAK6
SCHEMBL24153373 0.76 PAK4 (0.51) PAK4PAK1PAK2PKN1PAK6

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 PAK4 323/4885PAK1 144/4885PAK2 199/4885

“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.

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