SCHEMBL1614034

SCHEMBL1614034

Nc1ncc(Cl)c(-c2cnc3ccc(C#CC4(O)CCCC4)cn23)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 12/20 0.55
▸ PAK4 O96013 3/20 0.38
▸ IGF1R P08069 2/20 0.35
▸ 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
▸ ADORA2A P29274 1/20 0.33
▸ PRKD1 Q15139 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL12743972 0.80 MAP3K14 (0.46) MAP3K14IGF1RADORA2ACDK1CDK2
SCHEMBL12715020 0.74 MAP3K14 (0.38) MAP3K14PAK4PAK1PAK2PKN1
SCHEMBL1613993 0.72 MAP3K14 (0.60) MAP3K14IGF1RADORA2ACDK2CDK7
SCHEMBL1613706 0.72 MAP3K14 (0.77) MAP3K14PAK4IGF1RPRKD1
SCHEMBL1612370 0.72 MAP3K14 (0.71) MAP3K14PAK4IGF1RPRKD1CDK9
SCHEMBL1613701 0.71 MAP3K14 (1.00) MAP3K14PAK4
SCHEMBL31300227 0.71 MAP3K14 (1.00) MAP3K14PAK4
SCHEMBL21859092 0.71 MAP3K14 (1.00) MAP3K14PAK4
SCHEMBL1613250 0.71 MAP3K14 (0.57) MAP3K14PAK4CDK2CDK7CDK9
SCHEMBL1614095 0.71 PAK4 (0.43) MAP3K14PAK4PAK1PAK2PKN1

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 17/4885PAK4 323/4885IGF1R 1397/4885

“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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