SCHEMBL4091279

SCHEMBL4091279

COc1cc2c(Cl)ncnc2cc1O[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.52
ERBB2 P04626 6/20 0.52
PDE10A Q9Y233 3/20 0.48
ENPP1 P22413 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL22590150 0.91 EGFR (0.54) EGFRERBB2ENPP1
SCHEMBL3133723 0.89 PIK3CD (0.56) EGFRERBB2PDE10A
SCHEMBL2457829 0.89 PIK3CD (0.56) EGFRERBB2PDE10A
SCHEMBL3134760 0.89 PIK3CD (0.56) EGFRERBB2PDE10A
SCHEMBL4087511 0.89 EGFR (0.56) EGFRERBB2ENPP1
SCHEMBL3129523 0.89 EGFR (0.56) EGFRERBB2ENPP1
SCHEMBL5433323 0.85 ENPP1 (0.52) EGFRERBB2ENPP1PDE3A
SCHEMBL5438862 0.85 ENPP1 (0.52) EGFRERBB2ENPP1PDE3A
SCHEMBL29834791 0.82 PIK3CD (0.62) EGFRERBB2PDE10A
SCHEMBL29834734 0.82 PIK3CD (0.62) EGFRERBB2PDE10A

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-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
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

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 1/4885PDE10A 3197/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885PDE10A 3221/4885

“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.