SCHEMBL1613465

SCHEMBL1613465

Nc1ncc(Cl)c(-c2cn(CCN3CCOCC3)c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 11/20 0.37
▸ PAK4 O96013 3/20 0.37
▸ CHUK O15111 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ ATM Q13315 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

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
SCHEMBL1613513 0.99 PAK4 (0.38) MAP3K14PAK4CHUKHPGDSMN1; SMN2
SCHEMBL1614451 0.89 SMN1; SMN2 (0.41) MAP3K14PAK4HPGDSMN1; SMN2NPC1
SCHEMBL1614081 0.86 PAK4 (0.45) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL12714662 0.85 CHUK (0.41) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL12743744 0.85 CNR2 (0.35) —
SCHEMBL1614343 0.84 NPC1 (0.39) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1612516 0.84 CHUK (0.37) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL12743904 0.84 CNR2 (0.37) —
SCHEMBL1614094 0.84 PAK4 (0.43) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1614097 0.83 PAK4 (0.44) MAP3K14PAK4CHUKNPC1RAB9A

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 MAP3K14 17/4885PAK4 323/4885CHUK 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.

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