SCHEMBL6995758

SCHEMBL6995758

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63
HDAC3 O15379 3/20 0.58
ERBB2 P04626 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
KDR P35968 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 0.97 EGFR (0.64) EGFRERBB2KDR
SCHEMBL6987785 0.95 EGFR (0.70) EGFRHDAC3ERBB2HDAC4HDAC1
SCHEMBL26082 0.92 EGFR (0.61) EGFRHDAC3ERBB2HDAC4HDAC1
SCHEMBL15928220 0.92 EGFR (0.61) EGFRERBB2KDR
SCHEMBL6674011 0.91 EGFR (0.64) EGFRHDAC3ERBB2HDAC4HDAC1
SCHEMBL15928079 0.90 FBP1 (0.60) EGFRERBB2KDR
SCHEMBL19293607 0.90 FBP1 (0.66) EGFRERBB2KDR
SCHEMBL4576907 0.90 FBP1 (0.60) EGFRERBB2KDR
SCHEMBL17538495 0.89 EGFR (0.63) EGFRHDAC3ERBB2HDAC4HDAC1
SCHEMBL30236652 0.89 EGFR (0.74) EGFRHDAC3ERBB2HDAC4HDAC1

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 165/4885HDAC3 4682/4885ERBB2 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.