SCHEMBL369450

SCHEMBL369450

CNc1nc(-c2cccc(N)c2)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
WHR1 P49842 1/20 0.50
NUDT1 P36639 1/20 0.46
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
INSR P06213 1/20 0.45
KRAS P01116 1/20 0.45
SOS1 Q07889 1/20 0.45
MAP4K4 O95819 1/20 0.45
POLB P06746 2/20 0.45
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL1940967 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL12621367 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL16502036 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1941945 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942476 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL22144635 0.85 WHR1 (0.68) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1940456 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1940193 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL295421 0.82 WHR1 (0.52) PDE4APDE4DWHR1MAPTKRAS
SCHEMBL1943621 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DWHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687820-B Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2012-07-25 CN claimed
CN-102532041-A Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2012-07-04 CN claimed
CN-101687820-A Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2010-03-31 CN claimed
US-10357495-B2 Topical formulations of PDE-4 inhibitors and their methods of use Dermavant Sciences GmbH (CH) 2019-07-23 US disclosed
US-20190134036-A1 TOPICAL FORMULATIONS OF PDE-4 INHIBITORS AND THEIR METHODS OF USE Dermavant Sciences GmbH (CH) 2019-05-09 US disclosed
US-10206925-B2 Topical formulations of PDE-4 inhibitors and their methods of use EISAI R&D MANAGEMENT CO, LTD. (JP) 2019-02-19 US disclosed
WO-2017214289-A1 TOPICAL FORMULATIONS OF PDE-4 INHIBITORS AND THEIR METHODS OF USE Dermavant Sciences GmbH (CH) 2017-12-14 WO disclosed
US-20170348311-A1 TOPICAL FORMULATIONS OF PDE-4 INHIBITORS AND THEIR METHODS OF USE Dermavant Sciences GmbH (CH) 2017-12-07 US disclosed
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-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-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
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
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
US-20070299094-A1 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-12-27 US disclosed
US-6800644-B2 PHOSPHODIESTERASE-4 INHIBITOR, AMINOQUINOLINE OR AMINOISOQUINOLINE DERIVATIVES EISAI CO., LTD. (JP) 2004-10-05 US disclosed
US-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds EISAI CO., LTD. 2002-05-09 US disclosed
US-6352989-B1 ENZYME INHIBITORS FOR PHOSPHODIESTERASE EISAI CO., LTD. (JP) 2002-03-05 US disclosed
EP-1052254-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2000-11-15 EP 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-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds PDE4A, PDE4B, PDE5A PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885
US-10206925-B2 Topical formulations of PDE-4 inhibitors and their methods of use PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20070299094-A1 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives ITCH, HRH4, HRH1 PDE4A 1280/4885PDE4B 1378/4885PDE4C 2057/4885
US-20170348311-A1 TOPICAL FORMULATIONS OF PDE-4 INHIBITORS AND THEIR METHODS OF USE PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-10357495-B2 Topical formulations of PDE-4 inhibitors and their methods of use PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
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 PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885
US-20190134036-A1 TOPICAL FORMULATIONS OF PDE-4 INHIBITORS AND THEIR METHODS OF USE PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.