SCHEMBL5409879

SCHEMBL5409879

COc1ccc(CNc2nc(Cl)cnc2-c2cc(OC(F)(F)F)ccc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
PIM1 P11309 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
PDE5A O76074 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KCNN3 Q9UGI6 1/20 0.40
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.84 PIM1 (0.46) VNN1PIM1MAPTSMN1; SMN2TP53
SCHEMBL5404686 0.80 PIM1 (0.46) VNN1PIM1MAPTSMN1; SMN2TP53
SCHEMBL6204014 0.75 RUNX1 (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1RUNX1
SCHEMBL5417862 0.73 CRHR1 (0.49) VNN1PIM1MAPTSMN1; SMN2TP53
SCHEMBL5423317 0.71 CRHR1 (0.56) VNN1PIM1MAPTSMN1; SMN2TP53
SCHEMBL5406545 0.70 CRHR1 (0.70) VNN1MAPTSMN1; SMN2TP53MEN1
SCHEMBL14416671 0.69 CLK1 (0.46) MAPTSMN1; SMN2PDE5AMEN1KMT2A
SCHEMBL6203416 0.69 RUNX1 (0.40) SMN1; SMN2MEN1KMT2ARUNX1
SCHEMBL31289746 0.68 VNN1 (0.46) VNN1MAPTTP53POLBCCNE2
SCHEMBL5420376 0.68 CRHR1 (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-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-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 VNN1 2406/4885PIM1 3669/4885MAPT 1407/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C VNN1 2221/4885PIM1 4615/4885MAPT 2932/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH VNN1 2406/4885PIM1 3669/4885MAPT 1407/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C VNN1 2221/4885PIM1 4615/4885MAPT 2932/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH VNN1 2512/4885PIM1 3919/4885MAPT 1524/4885

“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.