SCHEMBL295984

SCHEMBL295984

COc1cc2nc(CN)nc(-c3cccc(N)c3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 2/20 0.50
KRAS P01116 1/20 0.42
SOS1 Q07889 1/20 0.42
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
NSD2 O96028 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4D Q08499 3/20 0.41
EGFR P00533 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
KIT P10721 2/20 0.39
PDPK1 O15530 1/20 0.39
ADORA2A P29274 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL295421 0.82 WHR1 (0.52) WHR1KRASSOS1RETKDR
SCHEMBL369450 0.80 PDE4A (0.59) WHR1KRASSOS1RETKDR
SCHEMBL5568255 0.76 KIT (0.64) RETKDREGFRKIT
SCHEMBL27734225 0.75 RET (0.44) WHR1KRASSOS1RETKDR
SCHEMBL1943805 0.74 PDPK1 (0.48) WHR1RETKDREGFRPDPK1
SCHEMBL16502035 0.74 LMNA (0.45) WHR1KRASSOS1RETKDR
SCHEMBL28098004 0.74 KIT (0.58) RETKDREGFRKIT
SCHEMBL16502044 0.73 EGFR (0.46) WHR1KRASSOS1KDRPDE4A
SCHEMBL12621366 0.73 WHR1 (0.40) WHR1KRASSOS1KDRPDE4A
SCHEMBL1940967 0.73 PDE4A (0.49) WHR1RETKDRNSD2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492543-B2 Method for producing quinazoline derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-23 US claimed
EP-2189450-B1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2011-12-21 EP claimed
US-20110152521-A1 Method for Producing Quinazoline Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-23 US claimed
EP-2189450-A1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-05-26 EP claimed
CN-102336717-B Quinazoline derivatives EISAI R&D MAN CO LTD 2013-09-18 CN disclosed
US-8530654-B2 Crystals, amorphous substances or salts of methyl N-[3-(6,7-dimethoxy-2-methylaminoquinazolin-4-yl) phenyl] terephthalamic acid EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8513269-B2 Preparation for external use EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
US-8492543-B2 Method for producing quinazoline derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-23 US disclosed
US-8492543-B2 Method for producing quinazoline derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-23 US disclosed
CN-101687820-B Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2012-07-25 CN disclosed
CN-102532041-A Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2012-07-04 CN disclosed
EP-2202229-B1 NOVEL PREPARATION FOR EXTERNAL USE EISAI R&D MAN CO LTD (JP) 2012-03-14 EP disclosed
EP-2189450-A1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-05-26 EP disclosed
EP-2189450-A1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-05-26 EP disclosed
CN-101687820-A Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2010-03-31 CN disclosed
EP-2123641-A1 CRYSTAL, AMORPHOUS FORM AND SALT OF METHYL N-Ý3-(6,7-DIMETHOXY- 2-METHYLAMINOQUINAZOLIN-4-YL)PHENYL¨TEREPHTHALAMIC ACID Eisai R&D Management Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20090062539-A1 CRYSTALS, AMORPHOUS SUBSTANCES OR SALTS OF METHYL N-[3-(6,7-DIMETHOXY-2-METHYLAMINOQUINAZOLIN-4-YL) PHENYL] TEREPHTHALAMIC ACID EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
WO-2009025238-A1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-26 WO disclosed
EP-1992622-A1 4-(3-BENZOYLAMINOPHENYL)-6,7-DIMETHOXY-2- METHYLAMINOQUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
US-20070299094-A1 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-12-27 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 (3 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-20070299094-A1 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives ITCH, HRH4, HRH1 WHR1 2103/4885KRAS 1088/4885SOS1 1936/4885
US-20090062539-A1 CRYSTALS, AMORPHOUS SUBSTANCES OR SALTS OF METHYL N-[3-(6,7-DIMETHOXY-2-METHYLAMINOQUINAZOLIN-4-YL) PHENYL] TEREPHTHALAMIC ACID PDE4A, PDE4B, PDE7A WHR1 2686/4885KRAS 4838/4885SOS1 3941/4885
US-20110152521-A1 Method for Producing Quinazoline Derivative HNMT, AZI2, GNMT WHR1 4774/4885KRAS 2460/4885SOS1 3927/4885

“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.