SCHEMBL6954080

SCHEMBL6954080

COc1ccc2ncnc(Nc3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 1.00
MAPT P10636 1/20 0.84
GRM1 Q13255 1/20 0.84
ERBB2 P04626 1/20 0.77
CLK4 Q9HAZ1 3/20 0.77
LMNA P02545 3/20 0.77
MAPK1 P28482 2/20 0.77
USP2 O75604 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2C9 P11712 2/20 0.77
TSHR P16473 2/20 0.77
CYP2C19 P33261 2/20 0.77
MEN1 O00255 1/20 0.77
BRAF P15056 1/20 0.77
KMT2A Q03164 1/20 0.77
HSD17B10 Q99714 1/20 0.77
LCK P06239 3/20 0.70
KDR P35968 2/20 0.69
DYRK3 O43781 1/20 0.69

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
SCHEMBL3339302 0.91 MAPT (1.00) EGFRMAPTGRM1ERBB2CLK4
Hydrochloric Acid SCHEMBL29624330 0.90 MAPT (0.97) EGFRMAPTGRM1ERBB2CLK4
Hydrochloric Acid SCHEMBL7417527 0.90 MAPT (0.97) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL15052375 0.89 BRAF (0.82) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL25465024 0.89 EGFR (1.00) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL1387244 0.88 EGFR (1.00) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL15052369 0.87 CLK4 (1.00) EGFRMAPTGRM1CLK4LMNA
Hydrochloric Acid SCHEMBL8808379 0.87 EGFR (0.98) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL2101550 0.87 EGFR (0.76) EGFRMAPTGRM1ERBB2CLK4
SCHEMBL2100465 0.86 MAPT (0.84) EGFRMAPTGRM1ERBB2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2018-04-12 US disclosed
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2016-05-12 US disclosed
US-9040548-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2014-05-01 US disclosed
US-8642608-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2014-02-04 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2011-03-17 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 (5 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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR EGFR 199/4885MAPT 4622/4885GRM1 2913/4885
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS FLT1, FLT4, KDR EGFR 183/4885MAPT 4682/4885GRM1 3062/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885MAPT 4100/4885GRM1 713/4885
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 181/4885MAPT 4667/4885GRM1 3087/4885
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR EGFR 120/4885MAPT 4060/4885GRM1 2475/4885

“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.