SCHEMBL1985296

SCHEMBL1985296

Oc1cc2ncnc(Nc3ccccc3)c2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.74
RAF1 P04049 3/20 0.65
BRAF P15056 3/20 0.65
ABCG2 Q9UNQ0 2/20 0.65
AURKB Q96GD4 2/20 0.65
DAPK3 O43293 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
PIM1 P11309 1/20 0.65
PRKACA P17612 1/20 0.65
LTK P29376 1/20 0.65
MAPK8 P45983 1/20 0.65
CSNK1A1 P48729 1/20 0.65
RPS6KA3 P51812 1/20 0.65
LIMK1 P53667 1/20 0.65
MAP2K1 Q02750 1/20 0.65
ACVR1 Q04771 1/20 0.65
TYRO3 Q06418 1/20 0.65
MAP4K2 Q12851 1/20 0.65

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
SCHEMBL12087754 0.87 EGFR (0.71) EGFRRAF1BRAFABCG2AURKB
SCHEMBL5239599 0.86 EGFR (0.80) EGFRRAF1BRAFAURKBRET
SCHEMBL5845291 0.85 EGFR (1.00) EGFRABCG2ABL1ERBB2MAPK14
SCHEMBL8871418 0.85 EGFR (0.71) EGFRERBB2RETKDRHTT
SCHEMBL5845413 0.85 EGFR (0.72) EGFRRAF1ABL1ERBB2MAPK14
SCHEMBL13604745 0.84 EGFR (0.82) EGFRRAF1BRAFAURKBRET
SCHEMBL28748550 0.84 EGFR (0.72) EGFRRAF1BRAFABCG2AURKB
SCHEMBL13599953 0.84 RAF1 (0.79) EGFRRAF1BRAFABCG2AURKB
SCHEMBL13404529 0.84 EGFR (0.64) EGFRRAF1BRAFAURKBERBB2
SCHEMBL5010953 0.83 FBP1 (0.74) EGFRRAF1BRAFABCG2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 US disclosed
CN-103483275-B The coupling compound of NSAID class anti-inflammatory analgesic medicine and EGFR kinase inhibitor and synthetic method thereof and application GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-02 CN disclosed
CN-103483275-A Coupling compound of NSAID anti-inflammatory pain killers and EGFR kinase inhibitor and synthetic method and application of coupling compound GUANGZHOU INST BIOMED & HEALTH 2014-01-01 CN disclosed
EP-2348020-A1 Preparation process of erlotinib Esteve Química, S.A. (ES) 2011-07-27 EP disclosed
WO-2011076813-A1 PREPARATION PROCESS OF ERLOTINIB Esteve Química, S.A. (ES) 2011-06-30 WO 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-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070032513-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-08 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 EGFR 1/4885RAF1 18/4885BRAF 19/4885
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885RAF1 37/4885BRAF 63/4885
US-20070032513-A1 Quinazoline derivatives ERBB2, EGFR, ABL1 EGFR 2/4885RAF1 55/4885BRAF 75/4885
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF EGFR, CHUK, ERBB2 EGFR 1/4885RAF1 542/4885BRAF 119/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885RAF1 46/4885BRAF 64/4885

“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.