Sugi Predict

Sugi Predict / Compounds / SCHEMBL12936083

SCHEMBL12936083

SCHEMBL12936083

O=C(/C=C/CN1C2CCC1COC2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.73
▸ ERBB2 P04626 13/20 0.69
▸ ERBB4 Q15303 6/20 0.67
▸ GAK O14976 3/20 0.67
▸ LCK P06239 3/20 0.67
▸ RIPK2 O43353 2/20 0.67
▸ SRC P12931 2/20 0.67
▸ MC3R P41968 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ KCNH2 Q12809 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ MET P08581 2/20 0.67
▸ PHKG2 P15735 2/20 0.67
▸ BLK P51451 2/20 0.67
▸ IRAK1 P51617 2/20 0.67
▸ DYRK1A Q13627 2/20 0.67
▸ HIPK4 Q8NE63 2/20 0.67
▸ EPHA6 Q9UF33 2/20 0.67
▸ CIT O14578 1/20 0.67
▸ EPHB6 O15197 1/20 0.67

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
SCHEMBL12936085 0.99 EGFR (0.74) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936081 0.99 EGFR (0.73) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936094 0.95 EGFR (0.76) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936092 0.95 EGFR (0.77) EGFRERBB2ERBB4GAKLCK
SCHEMBL2073180 0.93 EGFR (0.81) EGFRERBB2ERBB4GAKLCK
SCHEMBL2073178 0.93 EGFR (0.81) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936091 0.93 EGFR (0.81) EGFRERBB2ERBB4GAKLCK
SCHEMBL2073182 0.93 EGFR (0.81) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936072 0.92 EGFR (0.78) EGFRERBB2ERBB4GAKLCK
SCHEMBL3585901 0.91 EGFR (0.72) EGFRERBB2ERBB4GAKLCK

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.