SCHEMBL1751677

SCHEMBL1751677

CC(=O)c1ccc(OCCC2CCN(c3cc(Cl)nnc3Cl)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
GAA P10253 1/20 0.40
HTR7 P34969 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL1752631 0.90 MAPT (0.44) CHEK2PPARGPPARDKDM4EGPR119
SCHEMBL1751840 0.89 KCNH2 (0.43) CHEK2L3MBTL1HRH3GAAPPARG
SCHEMBL1751834 0.86 CHEK2 (0.39) CHEK2PPARGPPARD
SCHEMBL1752005 0.83 HRH3 (0.54) HRH2HRH1L3MBTL1HRH3HTR7
SCHEMBL1751628 0.82 SIGMAR1 (0.41) HRH2HRH1HRH3
SCHEMBL15004677 0.77 KCNH2 (0.42) CHEK2HRH2HRH1L3MBTL1HRH3
SCHEMBL1752031 0.76 DRD2 (0.40) PPARGPPARDKDM4E
SCHEMBL9212796 0.75 PIK3CA (0.44) CHEK2L3MBTL1HRH3PPARGPPARD
SCHEMBL1751930 0.73 TYMP (0.40)
SCHEMBL9218920 0.73 KCNH2 (0.43) HRH2HRH1L3MBTL1HRH3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900735-B1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS INST PHARM & TOXICOLOGY AMMS (CN) 2012-06-13 EP claimed
US-8076339-B2 Pyridazine compound; also useful against rhinovirus Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China of Beijing (CN) 2011-12-13 US claimed
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2008-10-30 US claimed
EP-1900735-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2008-03-19 EP claimed
US-8410105-B2 Pyridazinyl amine derivatives, the use thereof in the preparation of picorna virus inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-04-02 US disclosed
EP-1900735-B1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS INST PHARM & TOXICOLOGY AMMS (CN) 2012-06-13 EP disclosed
US-8076339-B2 Pyridazine compound; also useful against rhinovirus Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China of Beijing (CN) 2011-12-13 US disclosed
US-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS LI SONG 2011-03-10 US disclosed
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2008-10-30 US disclosed
EP-1900735-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2008-03-19 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 (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-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS RNASEH1, PIR, HAVCR2 CHEK2 4287/4885HRH2 1328/4885HRH1 1093/4885
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors RNASEH1, PIR, HAVCR2 CHEK2 4287/4885HRH2 1328/4885HRH1 1093/4885

“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.