SCHEMBL4639205

SCHEMBL4639205

Cc1c(NC2=NCCN2)cc(C#N)c2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.47
ADRA1A P35348 10/20 0.47
ADRA2B P18089 10/20 0.47
ADRA2C P18825 10/20 0.47
ADRA1D P25100 10/20 0.47
ADRA1B P35368 9/20 0.47
HTR7 P34969 1/20 0.39
CFB P00751 1/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
Acetic Acid SCHEMBL16699530 0.94 ADRA2A (0.42) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4638692 0.91 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL4639185 0.85 ADRA2A (0.40) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8926989 0.84 ADRA2A (0.52) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6581550 0.82 ADRA2A (0.50) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6950536 0.82 ADRA2A (0.50) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6579371 0.81 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL6967227 0.81 ADRA2A (0.49) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7210059 0.81 ADRA2A (0.46) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6579461 0.80 ADRA2A (0.43) ADRA2AADRA1AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704839-A2 IMIDAZOLE CONTAINING COMPOUNDS, DERIVATIVES THEREFORE, AND USES THEREOF ALPHERABIO LLC (US) 2026-03-11 EP claimed
WO-2024226608-A2 IMIDAZOLE CONTAINING COMPOUNDS, DERIVATIVES THEREFORE, AND USES THEREOF AGLAEAPHARMA INC. (US) 2024-10-31 WO claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-12612570-B2 Unleaded avgas composition GENERAL AVIATION MODIFICATIONS, INC. (US) 2026-04-28 US disclosed
EP-4704839-A2 IMIDAZOLE CONTAINING COMPOUNDS, DERIVATIVES THEREFORE, AND USES THEREOF ALPHERABIO LLC (US) 2026-03-11 EP disclosed
US-12534383-B2 High temperature chemical process for the preparation of cesium tungstate CARDARELLI FRANCOIS (CA) 2026-01-27 US disclosed
US-12305135-B2 High octane unleaded aviation gasoline GENERAL AVIATION MODIFICATIONS, INC. (US) 2025-05-20 US disclosed
US-20250136883-A1 UNLEADED AVGAS COMPOSITION GENERAL AVIATION MODIFICATIONS, INC. (US) 2025-05-01 US disclosed
US-20250051290-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF UNIV AJOU IND ACADEMIC COOP FOUND (KR) 2025-02-13 US disclosed
US-20250017104-A1 DISPLAY APPARATUS, DISPLAY MODULE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-01-09 US 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
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 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 (4 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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA1A 7/4885ADRA2B 4/4885
US-20250051290-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF ADORA2A, HCRTR1, ADORA1 ADRA2A 215/4885ADRA1A 234/4885ADRA2B 326/4885
US-12534383-B2 High temperature chemical process for the preparation of cesium tungstate SOD1, SOD3, CA3 ADRA2A 4749/4885ADRA1A 4799/4885ADRA2B 4712/4885
US-12612570-B2 Unleaded avgas composition POLG, ALPG, AP1G1 ADRA2A 816/4885ADRA1A 568/4885ADRA2B 803/4885

“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.