SCHEMBL4606701

SCHEMBL4606701

N=C(N)c1ccccc1-c1ncc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.71
TYRO3 Q06418 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
NISCH Q9Y2I1 2/20 0.46
MTOR P42345 1/20 0.46
ADK P55263 1/20 0.46
IDO1 P14902 1/20 0.42
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
PARP1 P09874 1/20 0.40
ADRA1A P35348 1/20 0.39
NUDT1 P36639 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ADRB3 P13945 1/20 0.37
ADRA2A P08913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KLK1 P06870 1/20 0.35

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
SCHEMBL31661863 1.00 CSNK1A1 (0.71) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9234252 0.83 CSNK1A1 (0.71) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6825869 0.83 CSNK1A1 (1.00) CSNK1A1TYRO3DYRK1BNISCHMTOR
Water SCHEMBL30473073 0.82 CSNK1A1 (0.97) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL10714674 0.79 CSNK1A1 (0.76) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL30965100 0.78 CSNK1A1 (0.73) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL297622 0.78 CSNK1A1 (0.73) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9287236 0.78 NISCH (0.64) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL15478263 0.77 CSNK1A1 (0.71) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL11566235 0.77 CSNK1A1 (0.71) CSNK1A1TYRO3DYRK1BNISCHMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279787-A1 Pharmaceutical compositions with synergistic antisecretory action for the healing of gastroduodenal ulcer ISTITUTO DE ANGELI S.p.A. (IT) 1988-08-24 EP claimed
US-20230349922-A1 H2 Blockers Targeting Liver Macrophages for the Prevention and Treatment of Liver Disease and Cancer UNIVERSITÉ DE STRASBOURG (FR) 2023-11-02 US disclosed
EP-4196793-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER Université de Strasbourg (FR) 2023-06-21 EP disclosed
WO-2022034121-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER UNIVERSITÉ DE STRASBOURG (FR) 2022-02-17 WO disclosed
US-8277782-B2 Antiinflammatory agent, metalloproteinase inhibitor, anti-oxidant and modifier of cell redox status, vitamins, inhibitor of activation of nuclear factor kappa beta THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
EP-1294367-B1 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT PROCTER & GAMBLE (US) 2008-07-16 EP disclosed
US-20060193790-A1 Promoting whole body health THE PROCTER & GAMBLE COMPANY 2006-08-31 US disclosed
EP-1294367-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT The Procter & Gamble Company (US) 2003-03-26 EP disclosed
WO-2002002096-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-10 WO disclosed
US-5364616-A Use of H-2 antagonists for treatment of gingivitis THE PROCTER & GAMBLE COMPANY (US) 1994-11-15 US disclosed
US-5294433-A Dentistry THE PROCTER & GAMBLE COMPANY (US) 1994-03-15 US disclosed
WO-1993020815-A1 USE OF H-2 ANTAGONISTS FOR TREATMENT OF GINGIVITIS THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO disclosed
EP-0279787-A1 Pharmaceutical compositions with synergistic antisecretory action for the healing of gastroduodenal ulcer ISTITUTO DE ANGELI S.p.A. (IT) 1988-08-24 EP disclosed
EP-0279787-A1 Pharmaceutical compositions with synergistic antisecretory action for the healing of gastroduodenal ulcer ISTITUTO DE ANGELI S.p.A. (IT) 1988-08-24 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-20060193790-A1 Promoting whole body health IFNG, TNF, TLR6 CSNK1A1 4152/4885TYRO3 1382/4885DYRK1B 4247/4885

“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.