SCHEMBL255591

SCHEMBL255591

CC(C)(C)OC(=O)Nc1cccc(Cc2nn(-c3cccc(C#N)c3)ccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
EGLN2 Q96KS0 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL13465609 0.92 EGLN2 (0.41) RORCSIRT2SIRT1KDM4EAURKA
SCHEMBL13449331 0.89 PARP1 (0.49) SIRT2KDM4EMAPTLMNAALDH1A1
SCHEMBL13465813 0.87 USP30 (0.39) RORCSIRT2SIRT1LMNAEGLN2
SCHEMBL13465659 0.87 HPGD (0.41) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL13275332 0.86 KDM4E (0.39) KDM4EMAPTLMNAEGLN2ALDH1A1
SCHEMBL163951 0.86 LMNA (0.44) KDM4EMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL13465739 0.84 KDM4E (0.38) KDM4EMAPTLMNAEGLN2ALDH1A1
SCHEMBL13466254 0.84 SIRT2 (0.38) RORCSIRT2AURKARPS6KB1PARP1
SCHEMBL12517590 0.84 MET (0.43) RORCSIRT2AURKARPS6KB1PARP1
SCHEMBL13275070 0.84 PARP1 (0.39) KDM4EMAPTPARP1

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
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 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 (2 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 RORC 961/4885SIRT2 4146/4885SIRT1 4186/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 RORC 1138/4885SIRT2 4028/4885SIRT1 4168/4885

“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.