SCHEMBL1680915

SCHEMBL1680915

Nc1ncccc1C(=O)NCc1ccc(Oc2cccc(Br)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
PIK3CD O00329 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
PRKCI P41743 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDPK1 O15530 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL1680815 0.88 PDPK1 (0.41) MAPK8PIK3CDKMT2AHPGDPDPK1
SCHEMBL1680652 0.88 PDPK1 (0.44) MAPK8PIK3CDHPGDPDPK1ALDH1A1
SCHEMBL1681019 0.88 PIK3CD (0.42) MAPK8PIK3CDKMT2AHPGDKDM4E
SCHEMBL1680415 0.88 MAPK8 (0.52) MAPK8PIK3CDPRKCIKDM4EPDPK1
SCHEMBL921336 0.86 KDM4E (0.44) KMT2AKDM4EMEN1POLB
SCHEMBL1681213 0.86 ADORA2A (0.40) MAPK8PIK3CDKDM4EPDPK1ALDH1A1
SCHEMBL1680602 0.83 KMT2A (0.44) MAPK8PIK3CDKMT2APDPK1
SCHEMBL1680807 0.83 GAA (0.49) MAPK8PIK3CDKMT2AHPGDKDM4E
SCHEMBL1680603 0.83 POLB (0.45) MAPK8PIK3CDHPGDKDM4EPDPK1
SCHEMBL923218 0.83 HPGD (0.53) MAPK8KMT2AHPGDKDM4EMEN1

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 6 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-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
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 MAPK8 2211/4885PIK3CD 3348/4885KMT2A 3747/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK8 2935/4885PIK3CD 3784/4885KMT2A 2620/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK8 2317/4885PIK3CD 3081/4885KMT2A 3740/4885

“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.