SCHEMBL6100528

SCHEMBL6100528

CCc1nc(-c2ccc(C)cc2C)c(CC)nc1NC1CCOc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.39
LRRK2 Q5S007 1/20 0.36
HTR2A P28223 1/20 0.35
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL6100798 0.90 CRHR1 (0.46) CRHR1LRRK2HTR2A
SCHEMBL6100740 0.83 CRHR1 (0.56) CRHR1
SCHEMBL6100646 0.78 HTR2A (0.40) CRHR1LRRK2HTR2AMAPK1ADRA2A
SCHEMBL6100896 0.73 MAPK1 (0.38) LRRK2HTR2AMAPK1ADRA2A
SCHEMBL5412960 0.68 CRHR1 (0.74) CRHR1
SCHEMBL13616767 0.67 CRHR1 (0.58) CRHR1
SCHEMBL6102313 0.65 CRHR1 (0.55) CRHR1
SCHEMBL3843636 0.64 CRHR1 (0.47) CRHR1
SCHEMBL2020275 0.64 CRHR1 (0.43) CRHR1LRRK2HTR2AMAPK1
SCHEMBL5019354 0.62 HTR2A (0.50) LRRK2HTR2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP claimed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US claimed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO claimed
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 27/4885LRRK2 616/4885HTR2A 4/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885LRRK2 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.