SCHEMBL12936098

SCHEMBL12936098

O=C(/C=C/CN1C2CCC1COC2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CCOC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ERBB2 P04626 17/20 0.68
ERBB4 Q15303 1/20 0.64

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
SCHEMBL12936099 0.97 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL12936086 0.95 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL12936089 0.94 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL2073178 0.90 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL2073182 0.90 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL2073180 0.90 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL12936091 0.90 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL12936078 0.90 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL12936072 0.90 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL12936097 0.90 EGFR (0.70) EGFRERBB2ERBB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863281-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-7863281-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-20080103161-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR THE PREPARATION THEREOF HIMMELSBACH FRANK 2008-05-01 US disclosed
US-20080103161-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR THE PREPARATION THEREOF HIMMELSBACH FRANK 2008-05-01 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-20080103161-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR THE PREPARATION THEREOF RET, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 478/4885ERBB2 329/4885ERBB4 762/4885

“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.