SCHEMBL12743532

SCHEMBL12743532

Cc1cc(C(C)(O)c2ccc(OC3CCOCC3)c(Nc3nc(N)ncc3Cl)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
TBK1 Q9UHD2 9/20 0.36
MAP3K14 Q99558 1/20 0.36
IKBKE Q14164 3/20 0.36
ALK Q9UM73 4/20 0.35
LRRK2 Q5S007 2/20 0.35
INSR P06213 1/20 0.34
PIK3CA P42336 2/20 0.33
RORC P51449 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
SCHEMBL12743916 0.95 ERBB2 (0.35) SRCTBK1MAP3K14LRRK2
SCHEMBL12743913 0.88 ALK (0.41) MAP3K14ALKLRRK2INSR
SCHEMBL1614185 0.86 MAP3K14 (0.49) MAP3K14
SCHEMBL12743908 0.83 MAP3K14 (0.50) SRCTBK1MAP3K14ALKLRRK2
SCHEMBL12743927 0.82 KDM4E (0.37) MAP3K14ALKINSR
SCHEMBL12743926 0.82 KDM4E (0.37) MAP3K14ALKINSR
SCHEMBL12743921 0.82 BCL6 (0.38) MAP3K14LRRK2
SCHEMBL1822045 0.82 MAP3K14 (0.45) MAP3K14
SCHEMBL1822048 0.82 MAP3K14 (0.45) MAP3K14
SCHEMBL12742610 0.81 BCL6 (0.37) MAP3K14ALK

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 SRC 230/4885TBK1 37/4885MAP3K14 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.