SCHEMBL912853

SCHEMBL912853

O=c1ocnc2sccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
CHEK1 O14757 2/20 0.42
AURKA O14965 2/20 0.42
DAPK3 O43293 2/20 0.42
JAK2 O60674 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
CSF1R P07333 2/20 0.42
RET P07949 2/20 0.42
IGF1R P08069 2/20 0.42
PDGFRB P09619 2/20 0.42
PIM1 P11309 2/20 0.42
FGFR1 P11362 2/20 0.42
PRKACA P17612 2/20 0.42
KDR P35968 2/20 0.42
MAP2K2 P36507 2/20 0.42
FLT3 P36888 2/20 0.42
MAPK8 P45983 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CDK8 P49336 2/20 0.42

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
SCHEMBL6849444 0.87 PDPK1 (0.39) ELANECHEK1AURKADAPK3JAK2
SCHEMBL913992 0.75 CHEK1 (0.42) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL217630 0.71
SCHEMBL914987 0.69 PDPK1 (0.47) ELANEHSD17B10KMT2ATSHRRAB9A
SCHEMBL925775 0.69 ELANE (0.30) ELANE
SCHEMBL913842 0.69 CHEK1 (0.33) ELANECHEK1AURKADAPK3JAK2
SCHEMBL914620 0.68 CHEK1 (0.44) ELANECHEK1AURKADAPK3JAK2
SCHEMBL11872100 0.67 ELANE (0.58) ELANECHEK1AURKADAPK3JAK2
SCHEMBL652836 0.65 PARP1 (0.52) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL11207150 0.64 ELANE (0.42) ELANEDYRK1AKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027200-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-07-31 WO claimed
US-8796316-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2014-08-05 US disclosed
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ (BR) 2013-10-17 US disclosed
US-8436027-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2013-05-07 US disclosed
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ - FIOCRUZ (BR) 2011-11-03 US disclosed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS BOECHAT NUBIA 2009-02-26 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO disclosed
WO-1998054192-A1 THIENOXAZINONE DERIVATIVES AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-03 WO disclosed
WO-1998054192-A1 THIENOXAZINONE DERIVATIVES AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-03 WO disclosed
WO-1998045298-A1 ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
WO-1998045298-A1 ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
WO-1997048707-A1 4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES AND ANALOGS AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
WO-1997027200-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-07-31 WO 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 (4 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ELANE 353/4885CHEK1 89/4885AURKA 2850/4885
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CYP51A1, IPO5, TBC1D5 ELANE 889/4885CHEK1 3264/4885AURKA 392/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 ELANE 2053/4885CHEK1 3409/4885AURKA 4435/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 ELANE 2346/4885CHEK1 3040/4885AURKA 4306/4885

“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.