SCHEMBL6100896

SCHEMBL6100896

CCc1cnc(CC)c(NC2CCOc3ccccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.38
LRRK2 Q5S007 1/20 0.36
HTR2A P28223 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 1/20 0.32
CCR6 P51684 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL6100646 0.80 HTR2A (0.40) MAPK1LRRK2HTR2ATRPV1NTRK1
SCHEMBL6102294 0.79 MEN1 (0.48) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6099445 0.78 POLB (0.44)
SCHEMBL6100651 0.78 TRPV1 (0.36) TRPV1
SCHEMBL6101244 0.73 CCR6 (0.34) CCR6
SCHEMBL6100528 0.73 CRHR1 (0.39) MAPK1LRRK2HTR2AADRA2A
SCHEMBL6100740 0.72 CRHR1 (0.56)
SCHEMBL6100134 0.72 CA1 (0.47)
SCHEMBL6100338 0.71 LMNA (0.39) CCR6ADRA2AADRA2BADRA2C
SCHEMBL6100798 0.71 CRHR1 (0.46) LRRK2HTR2A

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 MAPK1 1815/4885LRRK2 616/4885HTR2A 4/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A MAPK1 1815/4885LRRK2 616/4885HTR2A 4/4885

“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.