SCHEMBL5239599

SCHEMBL5239599

COc1cc2ncnc(Nc3ccccc3)c2cc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.80
KDR P35968 6/20 0.80
RET P07949 6/20 0.80
LCK P06239 2/20 0.78
RAF1 P04049 2/20 0.72
BRAF P15056 2/20 0.72
AURKB Q96GD4 3/20 0.72
AURKA O14965 2/20 0.72
KIF5B P33176 3/20 0.69
RIPK2 O43353 2/20 0.68
GAK O14976 1/20 0.68
STK10 O94804 1/20 0.68
FLT3 P36888 1/20 0.68
JAK3 P52333 1/20 0.68
AAK1 Q2M2I8 1/20 0.68
Q6ZSR9 Q6ZSR9 1/20 0.68
SLK Q9H2G2 1/20 0.68
IRAK4 Q9NWZ3 1/20 0.68
RPS6KA6 Q9UK32 1/20 0.68
ALK Q9UM73 1/20 0.68

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
SCHEMBL13604745 0.96 EGFR (0.82) EGFRKDRRETLCKRAF1
SCHEMBL29515328 0.89 EGFR (1.00) EGFRKDRRETLCKKIF5B
SCHEMBL1257431 0.89 EGFR (1.00) EGFRKDRRETLCKKIF5B
SCHEMBL15051719 0.89 BRAF (0.83) EGFRKDRRETLCKRAF1
Hydrochloric Acid SCHEMBL5475737 0.88 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL3241479 0.88 KDR (0.82) EGFRKDRRETRAF1BRAF
SCHEMBL2102382 0.88 EGFR (0.82) EGFRKDRRETLCKRAF1
SCHEMBL14964757 0.87 EGFR (0.81) EGFRKDRRETLCKRAF1
SCHEMBL5242610 0.87 KDR (0.81) EGFRKDRRETLCKRAF1
SCHEMBL3527282 0.87 AURKB (0.94) EGFRKDRAURKBAURKAIRAK4

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 24 patents — showing the first 20. 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-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US disclosed
US-8735410-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2014-05-27 US disclosed
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 US disclosed
EP-1680426-B1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 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
US-20070032513-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1680426-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2004111055-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040254205-A1 Phenalene derivatives LUK KIN-CHUN (US) 2004-12-16 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 (8 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 1/4885KDR 339/4885RET 49/4885
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885RET 1558/4885
US-20070032513-A1 Quinazoline derivatives ERBB2, EGFR, ABL1 EGFR 2/4885KDR 124/4885RET 56/4885
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885KDR 73/4885RET 7/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885RET 1558/4885
US-20040254205-A1 Phenalene derivatives EGFR, ERBB2, ERBB4 EGFR 1/4885KDR 504/4885RET 10/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK EGFR 3102/4885KDR 3962/4885RET 2996/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885KDR 180/4885RET 30/4885

“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.