SCHEMBL6980024

SCHEMBL6980024

Cc1cc(Nc2ncnc3ccc(I)cc23)ccc1OCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.60
ERBB2 P04626 16/20 0.60
GAK O14976 1/20 0.60
ERBB4 Q15303 2/20 0.56
ERBB3 P21860 1/20 0.52
ABL1 P00519 3/20 0.51
INSR P06213 3/20 0.51
PDGFRB P09619 3/20 0.51
CDK2 P24941 3/20 0.51
PLK1 P53350 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51

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
SCHEMBL4720051 0.90 EGFR (0.60) EGFRERBB2GAKERBB4ERBB3
SCHEMBL3320212 0.90 EGFR (0.69) EGFRERBB2GAKERBB4HDAC1
SCHEMBL12255288 0.89 EGFR (0.61) EGFRERBB2GAKERBB4
SCHEMBL29693649 0.89 EGFR (0.73) EGFRERBB2GAKERBB4ERBB3
SCHEMBL141514 0.89 EGFR (0.73) EGFRERBB2GAKERBB4ERBB3
SCHEMBL9973594 0.89 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2699753 0.89 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL13814707 0.88 EGFR (0.62) EGFRERBB2GAKERBB4ERBB3
Hydrochloric Acid SCHEMBL215037 0.88 EGFR (0.72) EGFRERBB2GAKERBB4ERBB3
SCHEMBL3014295 0.86 EGFR (0.63) EGFRERBB2GAKERBB4

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
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability NOVARTIS AG (CH) 2008-08-28 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 (3 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885GAK 340/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885GAK 340/4885
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability ERBB2, ERBB4, PTK2B EGFR 18/4885ERBB2 1/4885GAK 58/4885

“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.