SCHEMBL1614095

SCHEMBL1614095

CC(=O)n1cc(-c2nc(N)ncc2Cl)c2cc(C#CC3(O)CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.43
▸ MAP3K14 Q99558 14/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ PRKD1 Q15139 1/20 0.37
▸ PAK1 Q13153 1/20 0.36
▸ PAK2 Q13177 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ PAK6 Q9NQU5 1/20 0.36
▸ PAK5 Q9P286 1/20 0.36
▸ ATM Q13315 1/20 0.35

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
SCHEMBL1612464 0.91 PAK4 (0.42) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1613906 0.91 PAK4 (0.42) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614073 0.90 PAK4 (0.41) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1613216 0.86 MAP3K14 (0.38) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1613968 0.83 PAK4 (0.38) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL12743884 0.83 PDE2A (0.35) —
SCHEMBL1614081 0.82 PAK4 (0.45) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614343 0.80 NPC1 (0.39) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1614451 0.80 SMN1; SMN2 (0.41) PAK4MAP3K14NPC1RAB9APOLB
SCHEMBL1613420 0.80 PAK4 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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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