SCHEMBL1614343

SCHEMBL1614343

CCN(CC)CCn1cc(-c2nc(N)ncc2Cl)c2cc(C#CC3(O)CCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ PAK4 O96013 3/20 0.39
▸ MAP3K14 Q99558 10/20 0.37
▸ CHUK O15111 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PAK1 Q13153 1/20 0.35
▸ PAK2 Q13177 1/20 0.35
▸ PKN1 Q16512 1/20 0.35
▸ PAK6 Q9NQU5 1/20 0.35
▸ PAK5 Q9P286 1/20 0.35
▸ ICMT O60725 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
SCHEMBL1614081 0.88 PAK4 (0.45) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL1613968 0.87 PAK4 (0.38) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL1614094 0.85 PAK4 (0.43) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL12714662 0.85 CHUK (0.41) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL1614097 0.85 PAK4 (0.44) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL12743790 0.85 ICMT (0.34) ICMT
SCHEMBL1613465 0.84 MAP3K14 (0.37) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL1613513 0.84 PAK4 (0.38) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL13575081 0.83 NPC1 (0.38) NPC1RAB9APOLBNR2F2PAK4
SCHEMBL1614095 0.80 PAK4 (0.43) NPC1RAB9APOLBNR2F2PAK4

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 NPC1 778/4885RAB9A 3110/4885POLB 1542/4885

“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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