SCHEMBL4638949

SCHEMBL4638949

Cc1c(NC=O)cc(C#N)c2nc[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.34
▸ IP6K3 Q96PC2 1/20 0.34
▸ IP6K2 Q9UHH9 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDPK1 O15530 1/20 0.32

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
SCHEMBL5521728 0.89 RXFP1 (0.34) IP6K1IP6K3IP6K2RXFP1PDPK1
SCHEMBL4638632 0.77 IP6K1 (0.36) IP6K1PDPK1
SCHEMBL14337344 0.76 PARP1 (0.38) PDPK1
SCHEMBL4638871 0.76 PARP1 (0.38) PDPK1
SCHEMBL4638909 0.75 IP6K1 (0.35) IP6K1IP6K3IP6K2PDPK1
SCHEMBL6581925 0.74 IP6K1 (0.35) IP6K1IP6K3IP6K2
SCHEMBL4638692 0.74 ADRA2A (0.44) —
SCHEMBL5522376 0.73 — —
SCHEMBL4638722 0.72 RXFP1 (0.44) IP6K1IP6K3IP6K2RXFP1
SCHEMBL14337126 0.70 PARP1 (0.38) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 — — EP claimed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 — — US claimed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 — — EP claimed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 — — WO claimed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 — — US claimed
EP-1953146-B1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2014-04-30 — — EP disclosed
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 — — EP disclosed
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 — — EP disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 — — US disclosed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 — — US disclosed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 — — EP disclosed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 — — WO disclosed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 — — 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 (2 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-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN IP6K1 234/4885IP6K3 165/4885IP6K2 33/4885
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN IP6K1 282/4885IP6K3 199/4885IP6K2 47/4885

“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.

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