SCHEMBL1613420

SCHEMBL1613420

CN1CCC(n2cc(-c3nc(N)ncc3Cl)c3cc(C#CC4(O)CCCC4)ccc32)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.38
▸ MAP3K14 Q99558 13/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ PRKD1 Q15139 1/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ PAK2 Q13177 1/20 0.34
▸ PKN1 Q16512 1/20 0.34
▸ PAK6 Q9NQU5 1/20 0.34
▸ PAK5 Q9P286 1/20 0.34
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 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
SCHEMBL1614014 0.86 MAP3K14 (0.40) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614170 0.85 MAP3K14 (0.37) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL12743489 0.85 HTR6 (0.35) MAP3K14FLT4KDR
SCHEMBL13575081 0.81 NPC1 (0.38) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614073 0.80 PAK4 (0.41) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614095 0.80 PAK4 (0.43) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614081 0.79 PAK4 (0.45) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1612464 0.78 PAK4 (0.42) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1613906 0.78 PAK4 (0.42) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614343 0.78 NPC1 (0.39) PAK4MAP3K14NPC1RAB9APOLB

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 4 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

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 323/4885MAP3K14 17/4885NPC1 778/4885

“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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