SCHEMBL5414809

SCHEMBL5414809

Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.46
HTR2B P41595 12/20 0.46
CRHR1 P34998 2/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5414334 0.82 CRHR1 (0.46) CRHR1
SCHEMBL5417698 0.81 CNR1 (0.51) CRHR1
SCHEMBL5421171 0.80 HTR2C (0.46) HTR2CHTR2BCRHR1
SCHEMBL5404091 0.80 FPR2 (0.43) HTR2CHTR2BCRHR1
SCHEMBL5403697 0.79 CRHR1 (0.42) CRHR1
SCHEMBL5419832 0.77 L3MBTL1 (0.44) HTR2CHTR2BCRHR1
SCHEMBL5409761 0.76 CRHR1 (0.44) CRHR1
SCHEMBL5415195 0.75 CRHR1 (0.47) CRHR1
SCHEMBL5406556 0.74 SGK1 (0.44) CRHR1
SCHEMBL6644806 0.72 CNR1 (0.43) HTR2CHTR2BCRHR1

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 12 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
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 HTR2C 1/4885HTR2B 6/4885CRHR1 27/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH HTR2C 7/4885HTR2B 61/4885CRHR1 1/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH HTR2C 7/4885HTR2B 61/4885CRHR1 1/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A HTR2C 1/4885HTR2B 6/4885CRHR1 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.