SCHEMBL1614014

SCHEMBL1614014

Nc1ncc(Cl)c(-c2cn(C3CCNC3)c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 11/20 0.40
▸ PAK4 O96013 3/20 0.37
▸ PRKD1 Q15139 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 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
▸ HTR6 P50406 2/20 0.33
▸ PAICS P22234 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 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
SCHEMBL1614170 0.87 MAP3K14 (0.37) MAP3K14PAK4PRKD1NPC1POLB
SCHEMBL1613420 0.86 PAK4 (0.38) MAP3K14PAK4PRKD1NPC1POLB
SCHEMBL12743746 0.85 HTR6 (0.35) FLT4KDRHTR6PAICSCCNT1
SCHEMBL1614073 0.81 PAK4 (0.41) MAP3K14PAK4PRKD1NPC1POLB
SCHEMBL1613132 0.81 MAP3K14 (0.38) MAP3K14PAK4PRKD1NPC1POLB
SCHEMBL1612566 0.80 HTR6 (0.38) MAP3K14HTR6CCNT1CDK7CDK9
SCHEMBL1614095 0.79 PAK4 (0.43) MAP3K14PAK4PRKD1NPC1POLB
SCHEMBL1614564 0.78 MAP3K14 (0.36) MAP3K14PAK4NPC1RAB9APAK1
SCHEMBL13575081 0.78 NPC1 (0.38) MAP3K14PAK4NPC1POLBNR2F2
SCHEMBL1614565 0.78 MAP3K14 (0.36) MAP3K14PAK4NPC1RAB9APAK1

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 MAP3K14 17/4885PAK4 323/4885PRKD1 286/4885

“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.

Send feedback