SCHEMBL4226652

SCHEMBL4226652

CCOC(=O)CN(C)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.73
▸ KDR P35968 3/20 0.68
▸ ERBB2 P04626 7/20 0.67
▸ HDAC3 O15379 5/20 0.66
▸ HDAC4 P56524 5/20 0.66
▸ HDAC1 Q13547 5/20 0.66
▸ HDAC7 Q8WUI4 5/20 0.66
▸ HDAC2 Q92769 5/20 0.66
▸ HDAC10 Q969S8 5/20 0.66
▸ HDAC11 Q96DB2 5/20 0.66
▸ HDAC8 Q9BY41 5/20 0.66
▸ HDAC6 Q9UBN7 5/20 0.66
▸ HDAC9 Q9UKV0 5/20 0.66
▸ HDAC5 Q9UQL6 5/20 0.66
▸ AURKA O14965 1/20 0.63
▸ INSR P06213 1/20 0.63
▸ FBP1 P09467 1/20 0.63
▸ PDGFRB P09619 1/20 0.63
▸ FLT4 P35916 1/20 0.63
▸ CLK1 P49759 1/20 0.63

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
SCHEMBL643027 0.89 EGFR (0.79) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL643422 0.87 EGFR (0.79) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL641806 0.87 EGFR (0.79) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4342528 0.87 EGFR (0.79) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL641952 0.86 EGFR (0.73) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7224798 0.86 EGFR (0.70) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL2102985 0.85 EGFR (1.00) EGFRKDRERBB2AURKAINSR
SCHEMBL17520337 0.85 EGFR (1.00) EGFRKDRERBB2AURKAINSR
SCHEMBL20305537 0.85 EGFR (0.70) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL18435103 0.84 EGFR (0.90) EGFRKDRERBB2AURKAINSR

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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 — — US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 — — US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — EP 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885ERBB2 3690/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885ERBB2 3690/4885

“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.

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