SCHEMBL6987785

SCHEMBL6987785

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
FBP1 P09467 2/20 0.59
ERBB2 P04626 2/20 0.58
AURKA O14965 1/20 0.58
INSR P06213 1/20 0.58
PDGFRB P09619 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
CLK1 P49759 1/20 0.58
EPHB4 P54760 1/20 0.58
TEK Q02763 1/20 0.58
AURKB Q96GD4 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL3575576 0.95 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6674011 0.95 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6995758 0.95 EGFR (0.63) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL26082 0.94 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR
SCHEMBL4576907 0.92 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928079 0.92 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL19293607 0.92 FBP1 (0.66) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928220 0.92 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR
SCHEMBL642350 0.90 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL17538495 0.89 EGFR (0.63) EGFRFBP1ERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322645-A2 QUINAZOLINES, MEDICAMENTS, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE EFFECTIVE AS TYROSINE KINASE INHIBITORS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
EP-1315716-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP disclosed
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed
WO-2002018375-A1 QUINAZOLINES, MEDICAMENTS, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE EFFECTIVE AS TYROSINE KINASE INHIBITORS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed
WO-2002018370-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-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 165/4885FBP1 2544/4885ERBB2 28/4885

“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.