SCHEMBL4083849

SCHEMBL4083849

COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OC1CCN(C(=O)[C@@H](C)O)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.79
ERBB2 P04626 7/20 0.64
KDM4E B2RXH2 1/20 0.62
GAK O14976 1/20 0.62
MAPK13 O15264 1/20 0.62
ABL1 P00519 1/20 0.62
CYP1A2 P05177 1/20 0.62
CDK1 P06493 1/20 0.62
CYP3A4 P08684 1/20 0.62
FBP1 P09467 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
SRC P12931 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
EPHB2 P29323 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDR P35968 1/20 0.62
MAPK12 P53778 1/20 0.62

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
SCHEMBL1385661 1.00 EGFR (0.79) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL4087301 1.00 EGFR (0.79) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL14205022 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL14205852 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL4087512 0.88 EGFR (0.66) EGFRERBB2GAKFBP1MAPT
SCHEMBL12536553 0.88 EGFR (0.66) EGFRERBB2GAKFBP1MAPT
SCHEMBL5759634 0.88 EGFR (0.80) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL3392649 0.88 EGFR (1.00) EGFRERBB2
SCHEMBL4089563 0.85 EGFR (0.66) EGFRERBB2GAKEPHB2
SCHEMBL1382091 0.85 EGFR (0.66) EGFRERBB2GAKEPHB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US claimed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP claimed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US claimed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 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 (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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885KDM4E 2149/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885KDM4E 2236/4885

“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.