SCHEMBL5404091

SCHEMBL5404091

Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.43
PROKR1 Q8TCW9 6/20 0.43
CRHR1 P34998 6/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HSD11B1 P28845 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5421171 0.95 HTR2C (0.46) FPR2PROKR1CRHR1HTR2CHTR2B
SCHEMBL5419832 0.90 L3MBTL1 (0.44) CRHR1HTR2CHTR2B
SCHEMBL5403697 0.89 CRHR1 (0.42) FPR2PROKR1CRHR1HSD11B1CNR1
SCHEMBL6644806 0.86 CNR1 (0.43) FPR2PROKR1CRHR1HTR2CHTR2B
SCHEMBL5409761 0.85 CRHR1 (0.44) CRHR1
SCHEMBL5414334 0.85 CRHR1 (0.46) CRHR1CNR1CNR2
SCHEMBL5417698 0.84 CNR1 (0.51) CRHR1CNR1CNR2
SCHEMBL5406556 0.82 SGK1 (0.44) CRHR1
SCHEMBL5414809 0.80 HTR2C (0.46) CRHR1HTR2CHTR2B
SCHEMBL5415195 0.76 CRHR1 (0.47) CRHR1CNR1CNR2

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 14 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
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-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
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 (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 FPR2 1429/4885PROKR1 3049/4885CRHR1 27/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH FPR2 102/4885PROKR1 148/4885CRHR1 1/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH FPR2 102/4885PROKR1 148/4885CRHR1 1/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A FPR2 1429/4885PROKR1 3049/4885CRHR1 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.