SCHEMBL371380

SCHEMBL371380

CNc1nc(-c2cccc(NC(=O)c3cccc(C(=O)O)c3)c2)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.78
PDE4B Q07343 1/20 0.78
PDE4C Q08493 1/20 0.78
PDE4D Q08499 1/20 0.78
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK14 Q16539 2/20 0.47
EGFR P00533 1/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.44
WHR1 P49842 1/20 0.44
TSHR P16473 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LCK P06239 1/20 0.44
SYK P43405 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44

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
SCHEMBL296279 0.93 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL296482 0.93 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL296765 0.93 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12513023 0.93 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DMEN1
Hydrochloric Acid SCHEMBL296658 0.93 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1942916 0.91 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12621395 0.91 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL295669 0.91 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1940353 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1941380 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992622-A1 4-(3-BENZOYLAMINOPHENYL)-6,7-DIMETHOXY-2- METHYLAMINOQUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP claimed
US-8513269-B2 Preparation for external use EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
EP-2202229-B1 NOVEL PREPARATION FOR EXTERNAL USE EISAI R&D MAN CO LTD (JP) 2012-03-14 EP disclosed
EP-1992622-B1 4-(3-BENZOYLAMINOPHENYL)-6,7-DIMETHOXY-2- METHYLAMINOQUINAZOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2011-07-27 EP disclosed
US-7939540-B2 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-10 US disclosed
US-20110021545-A1 NOVEL PREPARATION FOR EXTERNAL USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PDE4A 1280/4885PDE4B 1378/4885PDE4C 2057/4885
US-20110021545-A1 NOVEL PREPARATION FOR EXTERNAL USE SLC26A4, SLC6A15, SLC6A19 PDE4A 3486/4885PDE4B 3375/4885PDE4C 3780/4885

“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.