SCHEMBL6102124

SCHEMBL6102124

Cc1c[n+]([O-])c(C)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CRHR1 P34998 13/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6101031 0.70 CRHR1 (0.48) HSD11B1HSP90AA1HSP90AB1CRHR1KDM4E
SCHEMBL6102731 0.69 CRHR1 (0.43) CRHR1
SCHEMBL8010081 0.65 HSD11B1 (0.46) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL28921919 0.65 HSD11B1 (0.46) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL6834931 0.64 CRHR1 (0.69) CRHR1
SCHEMBL6101843 0.64 CRHR1 (0.55) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL14996580 0.64 HSD11B1 (0.53) HSD11B1CRHR1
SCHEMBL29098442 0.64 GUSB (0.51) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL7041005 0.64 HSD11B1 (0.45) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL464507 0.63 AHR (0.64) HSD11B1HSP90AA1HSP90AB1CRHR1KDM4E

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-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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 (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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A HSD11B1 337/4885HSP90AA1 1394/4885HSP90AB1 1559/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A HSD11B1 337/4885HSP90AA1 1394/4885HSP90AB1 1559/4885

“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.