SCHEMBL5240218

SCHEMBL5240218

COc1cc2ncnc(Nc3ccccc3)c2cc1OC(C)=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.79
KDR P35968 8/20 0.79
RET P07949 3/20 0.79
LCK P06239 3/20 0.77
AURKA O14965 2/20 0.69
AURKB Q96GD4 2/20 0.69
MAPK14 Q16539 1/20 0.67
RIPK2 O43353 2/20 0.66
EPHB2 P29323 2/20 0.66
GAK O14976 1/20 0.65
STK10 O94804 1/20 0.65
FLT3 P36888 1/20 0.65
JAK3 P52333 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
SLK Q9H2G2 1/20 0.65
IRAK4 Q9NWZ3 1/20 0.65
RPS6KA6 Q9UK32 1/20 0.65
ALK Q9UM73 1/20 0.65
FGFR1 P11362 1/20 0.64

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
SCHEMBL17836949 0.95 EGFR (0.70) EGFRKDRRETLCKAURKA
SCHEMBL1257431 0.89 EGFR (1.00) EGFRKDRRETLCKMAPK14
SCHEMBL29515328 0.89 EGFR (1.00) EGFRKDRRETLCKMAPK14
Hydrochloric Acid SCHEMBL3533953 0.89 AURKB (0.86) EGFRKDRAURKAAURKBMAPK14
SCHEMBL6688859 0.89 KDR (0.67) EGFRKDRRETLCKAURKA
SCHEMBL14964683 0.89 EGFR (0.80) EGFRKDRRETLCKRIPK2
SCHEMBL5239666 0.89 KDR (0.80) EGFRKDRRETLCKAURKA
SCHEMBL3238919 0.88 EGFR (0.70) EGFRKDRRETLCKAURKA
SCHEMBL4233633 0.88 KDR (0.81) EGFRKDRRETMAPK14EPHB2
Hydrochloric Acid SCHEMBL28325957 0.88 AURKB (0.66) EGFRKDRRETLCKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2019-02-19 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
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 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
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 (7 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-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885RET 1558/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 EGFR 2407/4885KDR 2757/4885RET 1211/4885
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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB EGFR 802/4885KDR 860/4885RET 665/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885RET 1558/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN EGFR 493/4885KDR 1628/4885RET 1404/4885

“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.