SCHEMBL1680321

SCHEMBL1680321

N#CCNC(=O)c1ccc2ncccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.66
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
EGLN1 Q9GZT9 2/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
POLB P06746 1/20 0.51
BCAT1 P54687 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL6185799 0.84 PLK1 (0.50) PLK1ALOX15HTTEGLN1HDAC1
SCHEMBL17514250 0.82 TAS1R3 (0.69) PLK1TAS1R3TAS1R1
SCHEMBL6185796 0.82 TAS1R3 (0.69) PLK1TAS1R3TAS1R1
SCHEMBL2575332 0.81 ALOX15 (0.66) PLK1ALOX15HTTEGLN1HDAC1
SCHEMBL16621111 0.81 PLK1 (0.66) PLK1ALOX15HTTEGLN1HDAC1
SCHEMBL17634217 0.81 PLK1 (0.65) PLK1ALOX15HTTEGLN1HDAC1
SCHEMBL13382886 0.81 PLK1 (0.65) PLK1ALOX15HTTEGLN1HDAC1
SCHEMBL24219845 0.80 PLK1 (0.64) PLK1ALOX15HTTHDAC1HDAC2
SCHEMBL11962154 0.80 PLK1 (1.00) PLK1ALOX15HTTHDAC1HDAC2
SCHEMBL3492806 0.80 PLK1 (0.72) PLK1ALOX15HTTHDAC1HDAC2

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 10 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
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 PLK1 928/4885ALOX15 2682/4885HTT 4818/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PLK1 294/4885ALOX15 2039/4885HTT 3374/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PLK1 1133/4885ALOX15 2721/4885HTT 4819/4885

“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.