SCHEMBL1613455

SCHEMBL1613455

CC(C)(C)OC(=O)N1CC(C)(C=CC#N)c2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
XIAP P98170 4/20 0.34
BIRC2 Q13490 4/20 0.34
KDM1A O60341 1/20 0.33
CASP1 P29466 1/20 0.33
USP30 Q70CQ3 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
BACE1 P56817 2/20 0.31
HDAC1 Q13547 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 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
SCHEMBL12713671 1.00 RORC (0.35) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL1613453 1.00 RORC (0.35) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL1612498 0.85 RORC (0.36) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL1612501 0.85 RORC (0.36) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL1612502 0.85 RORC (0.36) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL12713649 0.85 RORC (0.36) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL1612202 0.85 RORC (0.38) RORCXIAPBIRC2KDM1AUSP30
SCHEMBL12713647 0.85 RORC (0.38) RORCXIAPBIRC2KDM1AUSP30
SCHEMBL1614018 0.77 XIAP (0.41) RORCXIAPBIRC2KDM1ACASP1
SCHEMBL19583492 0.77 XIAP (0.41) RORCXIAPBIRC2KDM1ACASP1

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 1 patent. 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

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 RORC 301/4885XIAP 539/4885BIRC2 350/4885

“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.