SCHEMBL6100889

SCHEMBL6100889

CCc1nc(NC2CCc3cccnc32)c(CC)nc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TRPV1 Q8NER1 1/20 0.33
SLC40A1 Q9NP59 3/20 0.33
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
CACNA2D1 P54289 1/20 0.32
OPRL1 P41146 3/20 0.31
KCNH2 Q12809 3/20 0.31

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
SCHEMBL6102558 0.81 TRPV1 (0.35) CRHR1HDAC1HDAC6TRPV1SLC40A1
SCHEMBL6098109 0.81 CRHR1 (0.36) CRHR1TRPV1CACNA2D1
SCHEMBL6099370 0.78 CRHR1 (0.55) CRHR1
SCHEMBL6100590 0.77 CRHR1 (0.41) CRHR1
SCHEMBL6100784 0.75 MEN1 (0.48) HDAC6CACNA2D1
SCHEMBL3838629 0.72 CYP19A1 (0.39) TRPV1CACNA2D1
SCHEMBL3843774 0.72 KDM1A (0.43)
SCHEMBL6100947 0.71 CRHR1 (0.41) CRHR1
SCHEMBL6100939 0.71 CRHR1 (0.41) CRHR1
SCHEMBL6100943 0.71 CRHR1 (0.41) CRHR1

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 27/4885HDAC1 210/4885HDAC6 522/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885HDAC1 210/4885HDAC6 522/4885

“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.