SCHEMBL4639104

SCHEMBL4639104

Cc1c(N)cc(C#N)c2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ IP6K2 Q9UHH9 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CHUK O15111 1/20 0.31
▸ CSNK2A2 P19784 2/20 0.31
▸ CSNK2A1 P68400 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CSNK2A3 Q8NEV1 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4638909 0.87 IP6K1 (0.35) IP6K1IP6K3IP6K2PDPK1CHUK
SCHEMBL16706982 0.81 ESR1 (0.35) IP6K1IP6K3IP6K2PDPK1CSNK2A2
SCHEMBL6142564 0.78 PDPK1 (0.37) PDPK1CSNK2A2CSNK2A1MEN1RAB9A
SCHEMBL5521728 0.75 RXFP1 (0.34) IP6K1IP6K3IP6K2PDPK1
SCHEMBL6581939 0.75 RXFP1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6582228 0.75 — —
SCHEMBL14035312 0.74 — —
Hydrochloric Acid SCHEMBL6976354 0.73 PDPK1 (0.34) PDPK1CSNK2A2CSNK2A1MEN1RAB9A
SCHEMBL14035183 0.72 IP6K1 (0.30) IP6K1IP6K3IP6K2
SCHEMBL14035315 0.72 — —

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150133516-A1 Methods and Compositions for Treating ADHD ARBOR PHARMACEUTICALS, INC. 2015-05-14 — — US disclosed
US-20150133516-A1 Methods and Compositions for Treating ADHD ARBOR PHARMACEUTICALS, INC. 2015-05-14 — — US disclosed
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-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-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-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
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
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 — — EP disclosed
EP-0944603-B1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES PROCTER & GAMBLE (US) 2003-02-19 — — EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 — — US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 — — EP disclosed
US-6066740-A Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-05-23 — — US disclosed
EP-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 — — EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 — — WO disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 — — 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 (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-20150133516-A1 Methods and Compositions for Treating ADHD ADRA2C, ADRA2A, ADRB2 IP6K1 2880/4885IP6K3 2385/4885IP6K2 1617/4885

“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.

Send feedback