SCHEMBL5404686

SCHEMBL5404686

CCc1nc(NCc2ccc(OC)cc2)cnc1-c1cc(OC(F)(F)F)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
CRHR1 P34998 4/20 0.46
VNN1 O95497 1/20 0.45
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
GPR39 O43194 1/20 0.40
SCN9A Q15858 1/20 0.40
RUNX1 Q01196 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL5406457 0.88 PIM1 (0.46) PIM1VNN1MAPTTP53SMN1; SMN2
SCHEMBL5420376 0.87 CRHR1 (0.43) CRHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5417862 0.81 CRHR1 (0.49) PIM1CRHR1VNN1MAPTTP53
SCHEMBL5409879 0.80 VNN1 (0.45) PIM1VNN1MAPTTP53SMN1; SMN2
SCHEMBL5425106 0.80 CRHR1 (0.51) CRHR1SCN9ARUNX1
SCHEMBL5409101 0.80 CRHR1 (0.48) CRHR1SMN1; SMN2MEN1KMT2ASCN9A
SCHEMBL6203375 0.78 CRHR1 (0.45) CRHR1SMN1; SMN2MEN1KMT2ASCN9A
SCHEMBL14416670 0.76 CRHR1 (0.49) CRHR1SCN9ARUNX1
SCHEMBL5406545 0.74 CRHR1 (0.70) CRHR1VNN1MAPTTP53SMN1; SMN2
SCHEMBL14416671 0.73 CLK1 (0.46) MAPTSMN1; SMN2MEN1HPGDKMT2A

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 18 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-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 PIM1 3669/4885CRHR1 1/4885VNN1 2406/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C PIM1 4615/4885CRHR1 5/4885VNN1 2221/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH PIM1 3669/4885CRHR1 1/4885VNN1 2406/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C PIM1 4615/4885CRHR1 5/4885VNN1 2221/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH PIM1 3919/4885CRHR1 1/4885VNN1 2512/4885

“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.