SCHEMBL6990737

SCHEMBL6990737

CS(=O)(=O)OCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.62
KDR P35968 2/20 0.61
EPHA2 P29317 1/20 0.61
EPHB4 P54760 1/20 0.61
FBP1 P09467 1/20 0.59
ERBB2 P04626 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58

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
SCHEMBL6988689 0.97 EGFR (0.62) EGFRKDREPHA2EPHB4FBP1
SCHEMBL12743537 0.89 EGFR (0.60) EGFRKDREPHA2EPHB4FBP1
SCHEMBL7218862 0.88 EGFR (0.66) EGFRKDREPHA2EPHB4FBP1
SCHEMBL18978859 0.88 EGFR (0.78) EGFRKDREPHB4FBP1ERBB2
SCHEMBL6985567 0.88 EGFR (0.65) EGFRKDREPHA2EPHB4FBP1
SCHEMBL6990402 0.88 EGFR (0.65) EGFRKDREPHA2EPHB4FBP1
SCHEMBL4231045 0.87 EGFR (0.74) EGFRKDREPHA2EPHB4FBP1
SCHEMBL4224164 0.87 EGFR (0.74) EGFRKDREPHA2EPHB4FBP1
SCHEMBL6984522 0.86 EGFR (0.67) EGFRKDREPHA2EPHB4FBP1
SCHEMBL6988536 0.86 EGFR (0.67) EGFRKDREPHA2EPHB4FBP1

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-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885KDR 500/4885EPHA2 1142/4885

“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.