SCHEMBL6101031

SCHEMBL6101031

Cc1cnc(C)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HSD11B1 P28845 1/20 0.45
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
S1PR4 O95977 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROS1 P08922 1/20 0.41

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
SCHEMBL6101843 0.73 CRHR1 (0.55) CRHR1HSP90AA1HSP90AB1HSD11B1NPC1
SCHEMBL20171948 0.72 HSP90AB1 (0.37) CRHR1HSP90AB1NPC1KDM4EHPGD
SCHEMBL7578666 0.71 HSD11B1 (0.50) CRHR1HSP90AA1HSP90AB1HSD11B1NPC1
SCHEMBL27960158 0.70 HTT (0.49) NPC1KDM4EHPGDNPSR1S1PR4
SCHEMBL6102124 0.70 HSD11B1 (0.45) CRHR1HSP90AA1HSP90AB1HSD11B1KDM4E
SCHEMBL6025511 0.70 MEN1 (0.62) HSD11B1ROS1
SCHEMBL28070698 0.69 HSD11B1 (0.47) CRHR1HSP90AA1HSP90AB1HSD11B1HPGD
SCHEMBL10093050 0.69 HSD11B1 (0.49) CRHR1HSP90AA1HSP90AB1HSD11B1NPC1
SCHEMBL19390835 0.69 ESR1 (0.44)
SCHEMBL14107169 0.69 CRHR1 (0.44) CRHR1HSP90AA1HSP90AB1HSD11B1KDM4E

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 CRHR1 27/4885HSP90AA1 1394/4885HSP90AB1 1559/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885HSP90AA1 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.