Sugi Predict

Sugi Predict / Compounds / SCHEMBL13090450

SCHEMBL13090450

SCHEMBL13090450

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC[C@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.75
▸ ERBB2 P04626 3/20 0.65
▸ HDAC3 O15379 2/20 0.65
▸ HDAC4 P56524 2/20 0.65
▸ HDAC1 Q13547 2/20 0.65
▸ HDAC7 Q8WUI4 2/20 0.65
▸ HDAC2 Q92769 2/20 0.65
▸ HDAC10 Q969S8 2/20 0.65
▸ HDAC11 Q96DB2 2/20 0.65
▸ HDAC8 Q9BY41 2/20 0.65
▸ HDAC6 Q9UBN7 2/20 0.65
▸ HDAC9 Q9UKV0 2/20 0.65
▸ HDAC5 Q9UQL6 2/20 0.65
▸ FBP1 P09467 2/20 0.62
▸ AURKA O14965 1/20 0.61
▸ INSR P06213 1/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ FLT4 P35916 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ CLK1 P49759 1/20 0.61

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
SCHEMBL3065691 0.94 EGFR (0.79) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL3065686 0.94 EGFR (0.79) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL22338174 0.88 EGFR (0.80) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL13090453 0.86 EGFR (0.75) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL25083284 0.86 EGFR (0.71) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL22336875 0.86 EGFR (0.87) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL24535320 0.83 EGFR (0.72) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL13773436 0.82 EGFR (0.86) EGFRERBB2FBP1AURKAINSR
SCHEMBL13529178 0.82 EGFR (0.89) EGFRERBB2FBP1AURKAINSR
SCHEMBL15206318 0.81 EGFR (1.00) EGFRERBB2FBP1AURKAINSR

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-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 — — US disclosed
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 — — US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 — — US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 — — 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-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 EGFR 471/4885ERBB2 243/4885HDAC3 1500/4885

“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.