SCHEMBL3571980

SCHEMBL3571980

Cc1cc(C2CCCN2)nc(-n2ccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.42
NOS1 P29475 4/20 0.42
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL3562054 0.96 NOS2 (0.41) NOS2NOS1MEN1KMT2ACHRNB2
SCHEMBL13037188 0.74 LMNA (0.50) NOS2MEN1USP2LMNAKMT2A
SCHEMBL3558771 0.74 NOS2 (0.36) NOS2NOS1
SCHEMBL3566689 0.73 NOS2 (0.43) NOS2NOS1
SCHEMBL4897169 0.72 NOS2 (0.58) NOS2NOS1LMNANPSR1
SCHEMBL3563522 0.72 CHRNB2 (0.35) NOS2NOS1MEN1USP2LMNA
SCHEMBL3559222 0.72 NOS2 (0.42) NOS2NOS1MEN1KMT2ATDP1
SCHEMBL13037164 0.71 NOS2 (0.52) NOS2NOS1
SCHEMBL3566595 0.71 NOS2 (0.59) NOS2NOS1MEN1USP2KMT2A
SCHEMBL3559864 0.70 NOS2 (0.60) NOS2NOS1USP2LMNANPSR1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
EP-1954694-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR Kalypsys, Inc. (US) 2008-08-13 EP disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2007062417-A1 METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2007062417-A1 METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2007062410-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US 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 (3 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885MEN1 4731/4885
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885MEN1 4607/4885
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885MEN1 4291/4885

“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.