SCHEMBL5406545

SCHEMBL5406545

CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NCc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.70
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
VNN1 O95497 1/20 0.40
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5423107 0.91 CRHR1 (0.56) CRHR1MEN1POLBKMT2A
SCHEMBL5423317 0.88 CRHR1 (0.56) CRHR1MEN1POLBKMT2ATP53
SCHEMBL6203614 0.85 CRHR1 (0.70) CRHR1
SCHEMBL5406509 0.82 CRHR1 (1.00) CRHR1
SCHEMBL5417862 0.80 CRHR1 (0.49) CRHR1MEN1KMT2ATP53MAPT
SCHEMBL5414869 0.79 CRHR1 (0.68) CRHR1
SCHEMBL5406519 0.79 CRHR1 (0.68) CRHR1
SCHEMBL6201263 0.77 CRHR1 (0.62) CRHR1
SCHEMBL5531126 0.77 CRHR1 (0.60) CRHR1
SCHEMBL6202812 0.77 CRHR1 (0.62) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
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-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 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-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 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
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US 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 (5 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 CRHR1 1/4885MEN1 2942/4885POLB 4841/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885MEN1 3330/4885POLB 4558/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885MEN1 2942/4885POLB 4841/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885MEN1 3330/4885POLB 4558/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885MEN1 3382/4885POLB 4832/4885

“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.