SCHEMBL5417698

SCHEMBL5417698

Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
CRHR1 P34998 9/20 0.44
PIK3CA P42336 1/20 0.41
LRRK2 Q5S007 1/20 0.39
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 3/20 0.38
SGK1 O00141 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL6644806 0.89 CNR1 (0.43) CNR1CNR2CRHR1PIK3CATMEM97
SCHEMBL5414334 0.86 CRHR1 (0.46) CNR1CNR2CRHR1
SCHEMBL5404091 0.84 FPR2 (0.43) CNR1CNR2CRHR1
SCHEMBL5403697 0.83 CRHR1 (0.42) CNR1CNR2CRHR1DPP4
SCHEMBL5421171 0.82 HTR2C (0.46) CRHR1
SCHEMBL5414809 0.81 HTR2C (0.46) CRHR1
SCHEMBL5419832 0.79 L3MBTL1 (0.44) CRHR1
SCHEMBL5409761 0.78 CRHR1 (0.44) CRHR1SGK1
SCHEMBL5415195 0.77 CRHR1 (0.47) CNR1CNR2CRHR1
SCHEMBL5406556 0.76 SGK1 (0.44) CRHR1SGK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US claimed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US claimed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US 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 (4 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 CNR1 66/4885CNR2 72/4885CRHR1 27/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CNR1 11/4885CNR2 46/4885CRHR1 1/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CNR1 11/4885CNR2 46/4885CRHR1 1/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CNR1 66/4885CNR2 72/4885CRHR1 27/4885

“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.