SCHEMBL1614503

SCHEMBL1614503

C[C@@](O)(C#Cc1ccc2c(c1)N(c1ccnc(N)n1)CC2)c1nccs1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 17/20 0.73
MAP4K4 O95819 1/20 0.73
TTBK1 Q5TCY1 1/20 0.55
PAK4 O96013 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL1614321 1.00 MAP3K14 (0.73) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1614052 1.00 MAP3K14 (0.73) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1613970 0.88 MAP3K14 (0.58) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1613658 0.87 MAP3K14 (0.64) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1613570 0.87 MAP3K14 (0.57) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1612920 0.87 MAP3K14 (0.57) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1614042 0.86 MAP3K14 (0.56) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1613847 0.86 TTBK1 (0.72) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1614288 0.86 MAP3K14 (0.58) MAP3K14MAP4K4TTBK1PAK4ROCK1
SCHEMBL1613220 0.85 MAP3K14 (0.59) MAP3K14MAP4K4TTBK1PAK4ROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020082016-A1 TARGETING THE NON-CANONICAL NFKB PATHWAY IN CANCER IMMUNOTHERAPY THE GENERAL HOSPITAL CORPORATION (US) 2020-04-23 WO claimed
WO-2020082016-A1 TARGETING THE NON-CANONICAL NFKB PATHWAY IN CANCER IMMUNOTHERAPY THE GENERAL HOSPITAL CORPORATION (US) 2020-04-23 WO disclosed
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 17/4885MAP4K4 57/4885TTBK1 888/4885

“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.