SCHEMBL5409982

SCHEMBL5409982

CCC(CC)Nc1nc(OC)cnc1Br

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.40
PDE1B Q01064 2/20 0.38
PDE1A P54750 1/20 0.38
PDE1C Q14123 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5407680 0.81 CRHR1 (0.52) CRHR1
SCHEMBL5404391 0.78 CRHR1 (0.43) CRHR1PDE1BKDM4ENPC1HPGD
SCHEMBL5106652 0.71 CCR4 (0.34)
SCHEMBL31471043 0.70 CRHR1 (0.41) CRHR1PDE1BPDE1APDE1C
SCHEMBL5416416 0.69 FYN (0.44) CRHR1
SCHEMBL3018852 0.69 CRHR1 (0.38) CRHR1PDE1BPDE1APDE1C
SCHEMBL5414343 0.68 CRHR1 (0.51) CRHR1
SCHEMBL5794001 0.67 CRHR1 (0.51) CRHR1
SCHEMBL13500438 0.66 POLB (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11227327 0.66 NNMT (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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 CRHR1 1/4885PDE1B 672/4885PDE1A 866/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885PDE1B 885/4885PDE1A 1172/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885PDE1B 672/4885PDE1A 866/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885PDE1B 885/4885PDE1A 1172/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885PDE1B 745/4885PDE1A 877/4885

“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.