SCHEMBL3533221

SCHEMBL3533221

COc1cc2ncnc(Nc3ccc(N)cc3)c2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.80
KDR P35968 8/20 0.80
LCK P06239 5/20 0.80
RET P07949 4/20 0.78
RIPK2 O43353 2/20 0.78
FLT1 P17948 1/20 0.78
GAK O14976 1/20 0.78
STK10 O94804 1/20 0.78
FLT3 P36888 1/20 0.78
JAK3 P52333 1/20 0.78
AAK1 Q2M2I8 1/20 0.78
Q6ZSR9 Q6ZSR9 1/20 0.78
SLK Q9H2G2 1/20 0.78
IRAK4 Q9NWZ3 1/20 0.78
RPS6KA6 Q9UK32 1/20 0.78
ALK Q9UM73 1/20 0.78
ABCG2 Q9UNQ0 2/20 0.77
CLK1 P49759 1/20 0.77
EPHB2 P29323 1/20 0.70
KIF5B P33176 1/20 0.70

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
Hydrochloric Acid SCHEMBL8871198 0.99 EGFR (0.80) EGFRKDRLCKRETRIPK2
SCHEMBL6675906 0.91 KDR (0.73) EGFRKDRLCKRETRIPK2
SCHEMBL5472599 0.89 EGFR (1.00) EGFRKDRLCKRETRIPK2
SCHEMBL5467825 0.89 EGFR (1.00) EGFRKDRLCKRETRIPK2
SCHEMBL5473778 0.89 EGFR (0.80) EGFRKDRLCKRETRIPK2
SCHEMBL3528866 0.88 EGFR (0.67) EGFRKDRLCKRETRIPK2
SCHEMBL5473780 0.87 EGFR (0.78) EGFRKDRLCKRETRIPK2
Whi-P131 SCHEMBL29295 0.87 EGFR (1.00) EGFRKDRLCKRETRIPK2
Hydrochloric Acid SCHEMBL5473795 0.87 EGFR (0.80) EGFRKDRLCKRETRIPK2
Whi-P131 SCHEMBL29369589 0.87 EGFR (1.00) EGFRKDRLCKRETRIPK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK EGFR 132/4885KDR 1851/4885LCK 3/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR EGFR 196/4885KDR 1094/4885LCK 39/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 EGFR 2429/4885KDR 2584/4885LCK 1564/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 EGFR 2429/4885KDR 2584/4885LCK 1564/4885
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT EGFR 1445/4885KDR 2712/4885LCK 10/4885

“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.