SCHEMBL1612857

SCHEMBL1612857

CC1=CC([C@](C)(O)C#Cc2ccc3[nH]c(C(=O)NC4CC4)c(-c4ccncn4)c3c2)=NC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 4/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MAP3K14 Q99558 2/20 0.32
▸ TTBK1 Q5TCY1 2/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ PRKX P51817 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 0.32
▸ TSSK3 Q96PN8 1/20 0.32
▸ TSSK1B Q9BXA7 1/20 0.32
▸ TAOK3 Q9H2K8 1/20 0.32
▸ PAK6 Q9NQU5 1/20 0.32
▸ PAK5 Q9P286 1/20 0.32
▸ TAOK2 Q9UL54 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ GABRA5 P31644 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL1612864 1.00 PIKFYVE (0.33) PIKFYVEPTGS2MAP3K14TTBK1PAK4
SCHEMBL12714624 0.84 MAP3K14 (0.42) MAP3K14
SCHEMBL1613202 0.73 MAPT (0.44) PTGS2ADORA1GABRA5NPC1RAB9A
SCHEMBL1613545 0.70 MAP3K14 (0.48) MAP3K14
SCHEMBL1613056 0.67 MAP3K14 (0.46) MAP3K14
SCHEMBL1613055 0.67 MAP3K14 (0.46) MAP3K14
SCHEMBL1613441 0.59 ALDH1A1 (0.45) NPC1RAB9A
SCHEMBL1614062 0.57 MAP3K14 (0.56) PIKFYVEMAP3K14TTBK1
SCHEMBL1614215 0.56 MAP3K14 (0.57) MAP3K14PAK4
SCHEMBL1613149 0.56 MAP3K14 (0.43) MAP3K14PAK4

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 3 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
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 PIKFYVE 126/4885PTGS2 632/4885MAP3K14 17/4885

“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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