SCHEMBL1680533

SCHEMBL1680533

Nc1nc(NCc2ccccn2)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 7/20 0.41
ALDH1A1 P00352 3/20 0.41
PDPK1 O15530 1/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN11 Q06124 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
SORT1 Q99523 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 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
SCHEMBL1681209 0.92 MAPK14 (0.44) MAPK14L3MBTL1LMNAHTTHPGD
SCHEMBL1680965 0.91 MAP4K4 (0.40) MAPK14PTPN11ADORA2AADORA1
SCHEMBL1681018 0.88 MAPK8 (0.42) MAPK14L3MBTL1LMNAHTTHPGD
SCHEMBL1680984 0.86 MAPK8 (0.35) MAPK14L3MBTL1HTTHPGDALDH1A1
SCHEMBL1681063 0.86 CCNA2 (0.36) MAPK14L3MBTL1HTTHPGDALDH1A1
SCHEMBL1680314 0.85 MAPK8 (0.35) MAPK14L3MBTL1HTTHPGDALDH1A1
SCHEMBL1680862 0.85 MAPK8 (0.35) MAPK14L3MBTL1HTTHPGDALDH1A1
SCHEMBL1680895 0.84 CCNA2 (0.38) L3MBTL1HTTHPGDALDH1A1KDM4E
SCHEMBL1680840 0.84 KLKB1 (0.39) MAPK14L3MBTL1HTTHPGDALDH1A1
SCHEMBL12352377 0.84 MAPK14 (0.44) MAPK14L3MBTL1LMNAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 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 (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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MAPK14 2815/4885L3MBTL1 2320/4885LMNA 2372/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK14 2841/4885L3MBTL1 1720/4885LMNA 698/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK14 3031/4885L3MBTL1 2126/4885LMNA 2208/4885

“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.