SCHEMBL4716982

SCHEMBL4716982

Brc1cccc(Br)c1N=C1NCCN1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL11251790 0.92 PARP10 (0.33) PARP10PARP11PIM1CSNK1A1CDK5
Romifidine SCHEMBL5898394 0.87 PARP10 (0.31) PARP10PARP11
SCHEMBL11468136 0.87 MAPT (0.32) PARP10PARP11
Romifidine SCHEMBL9623631 0.85 PARP10 (0.30) PARP10PARP11
Clonidine SCHEMBL1369066 0.75 MAPT (0.34) DYRK1ACLK4DYRK1B
SCHEMBL10879541 0.75 ALOX5 (0.34)
SCHEMBL10880421 0.75 GAA (0.39)
SCHEMBL11099097 0.75 ALDH1A1 (0.31)
SCHEMBL10879937 0.75 AXL (0.30)
SCHEMBL5155034 0.75 PARP10 (0.31) PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP claimed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 EP disclosed
EP-0006451-B1 IMIDAZO (1,2-A) IMIDAZOLES, THEIR ACID ADDITION SALTS, MEDICAMENTS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION C.H. BOEHRINGER SOHN (DE) 1982-04-14 EP disclosed
US-4210659-A BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-01 US disclosed
EP-0007991-A1 Substituted 2-phenylamino-imidazolines-(2), their acid addition salts, medicaments containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1980-02-20 EP disclosed
EP-0007406-A1 Substituted 2-phenylamino-imidazolines-(2), their acid addition salts, medicaments containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1980-02-06 EP disclosed
EP-0007428-A1 Substituted 2-phenylamino-imidazolines-(2), their acid addition salts, medicaments containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1980-02-06 EP disclosed
EP-0006451-A1 Imidazo (1,2-a) imidazoles, their acid addition salts, medicaments containing them and process for their preparation C.H. BOEHRINGER SOHN (DE) 1980-01-09 EP 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 (1 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-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives CRY1, HTR2C, PER2 PARP10 3103/4885PARP11 2943/4885PIM1 4620/4885

“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.