SCHEMBL13465609

SCHEMBL13465609

CC(C)(C)OC(=O)Nc1cccc(Cc2nn(-c3ccc(C#N)cc3)ccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
RORC P51449 4/20 0.37
PARP1 P09874 2/20 0.37
SIRT1 Q96EB6 1/20 0.36
EP300 Q09472 1/20 0.36
AR P10275 1/20 0.36
NPY1R P25929 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL255591 0.92 RORC (0.40) EGLN2SIRT2AURKARPS6KB1MAPT
SCHEMBL13275480 0.86 PARP1 (0.40) EGLN2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL13274513 0.86 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2LMNAPARP1
SCHEMBL13466254 0.85 SIRT2 (0.38) SIRT2AURKARPS6KB1RORCPARP1
SCHEMBL12517590 0.85 MET (0.43) SIRT2AURKARPS6KB1RORCPARP1
SCHEMBL12516346 0.84 PARP1 (0.39) MAPTALDH1A1SMN1; SMN2LMNAPARP1
SCHEMBL13465830 0.84 SIRT2 (0.39) SIRT2AURKARPS6KB1RORCPARP1
SCHEMBL255442 0.82 RORC (0.40) SIRT2AURKARPS6KB1RORCPARP1
SCHEMBL13465608 0.82 MET (0.39) SIRT2AURKARPS6KB1MAPTALDH1A1
SCHEMBL13449331 0.81 PARP1 (0.49) SIRT2MAPTALDH1A1SMN1; SMN2LMNA

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 EGLN2 1477/4885SIRT2 4146/4885AURKA 494/4885

“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.