SCHEMBL1613099

SCHEMBL1613099

Nc1ncc(F)c(-c2cn(CC3CCOC3)c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 2/20 0.37
▸ MAP3K14 Q99558 8/20 0.36
▸ PAK4 O96013 3/20 0.36
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ 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
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL1612516 0.91 CHUK (0.37) CHUKMAP3K14PAK4CNR1CNR2
SCHEMBL12743529 0.85 CHUK (0.36) CHUKCNR1CNR2CYP1A2CYP2C9
SCHEMBL1612933 0.79 PAK4 (0.43) CHUKMAP3K14PAK4NPC1RAB9A
SCHEMBL1614564 0.78 MAP3K14 (0.36) CHUKMAP3K14PAK4CNR1CNR2
SCHEMBL1614565 0.78 MAP3K14 (0.36) CHUKMAP3K14PAK4CNR1CNR2
SCHEMBL1614170 0.76 MAP3K14 (0.37) MAP3K14PAK4NPC1RAB9APRKD1
SCHEMBL12743220 0.76 CDK9 (0.36) CHUKCNR1CNR2
SCHEMBL1613132 0.75 MAP3K14 (0.38) CHUKMAP3K14PAK4NPC1RAB9A
SCHEMBL13575081 0.75 NPC1 (0.38) CHUKMAP3K14PAK4CNR1CNR2
SCHEMBL1613465 0.75 MAP3K14 (0.37) CHUKMAP3K14PAK4NPC1RAB9A

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 CHUK 28/4885MAP3K14 17/4885PAK4 323/4885

“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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