SCHEMBL5409841

SCHEMBL5409841

CCC(CC)Nc1nc(C)c(-c2c(C)cc(C)cc2OCCN2CCOCC2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CRHR1 P34998 9/20 0.56
ALDH1A1 P00352 1/20 0.50
SYK P43405 1/20 0.46
HTR1A P08908 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5427398 0.79 POLB (0.54) POLBCRHR1ALDH1A1SYKHTR1A
SCHEMBL5419404 0.78 CRHR1 (0.59) CRHR1
SCHEMBL5409307 0.76 CRHR1 (0.56) CRHR1
SCHEMBL14420763 0.74 POLB (1.00) POLBCRHR1ALDH1A1SYKHTR1A
SCHEMBL5417683 0.74 POLB (0.54) POLBCRHR1ALDH1A1SYKHTR1A
SCHEMBL5412998 0.73 CRHR1 (0.47) POLBCRHR1
SCHEMBL14416663 0.70 POLB (0.71) POLBCRHR1ALDH1A1SYKHTR1A
SCHEMBL5438706 0.68 CRHR1 (0.60) CRHR1
SCHEMBL19227456 0.67 POLB (0.71) POLBALDH1A1SYKHTR1AMEN1
SCHEMBL23239917 0.67 POLB (0.75) POLBALDH1A1SYKHTR1A

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-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-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
EP-1255740-B1 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORP (US) 2005-10-19 EP disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
EP-1500653-A1 Substituted arylpyrazines Neurogen Corporation (US) 2005-01-26 EP disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH POLB 4841/4885CRHR1 1/4885ALDH1A1 1575/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH POLB 4841/4885CRHR1 1/4885ALDH1A1 1575/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C POLB 4558/4885CRHR1 5/4885ALDH1A1 2442/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH POLB 4832/4885CRHR1 1/4885ALDH1A1 1706/4885

“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.