SCHEMBL12908987

SCHEMBL12908987

CC(C)(C)OC(=O)N1CCc2c(sc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.56
EGFR P00533 11/20 0.55
ERBB4 Q15303 2/20 0.52
ERBB2 P04626 3/20 0.49

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
SCHEMBL938069 0.91 EGFR (0.57) EGFRERBB4ERBB2
SCHEMBL12908946 0.87 EGFR (0.53) MKNK1EGFRERBB2
SCHEMBL12908945 0.86 EGFR (0.69) MKNK1EGFR
SCHEMBL12908984 0.85 EGFR (0.62) MKNK1EGFR
SCHEMBL938263 0.84 EGFR (0.74) EGFRERBB4ERBB2
SCHEMBL938265 0.84 EGFR (0.74) EGFRERBB4ERBB2
SCHEMBL12908995 0.84 EGFR (0.72) MKNK1EGFRERBB2
SCHEMBL938837 0.81 EGFR (0.57) EGFRERBB4ERBB2
SCHEMBL938091 0.78 EGFR (0.55) EGFRERBB4ERBB2
SCHEMBL13473625 0.75 EGFR (0.61) MKNK1EGFRERBB2

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-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 MKNK1 3496/4885EGFR 1771/4885ERBB4 1938/4885

“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.