SCHEMBL1751133

SCHEMBL1751133

Clc1cc(N2CCN(CCOc3ccc(Br)cc3)CC2)c(Cl)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 1/20 0.51
CHIA Q9BZP6 1/20 0.51
LTA4H P09960 2/20 0.50
PTGS2 P35354 2/20 0.50
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
DRD1 P21728 2/20 0.43
DRD2 P14416 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KCNA5 P22460 1/20 0.42
RAB9A P51151 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL1752054 0.88 KDM4E (0.46) LTA4HPTGS2TSHRL3MBTL1SLC6A2
SCHEMBL1752051 0.88 KCNA5 (0.48) TSHRDRD1DRD2LMNAMAPK1
SCHEMBL1751454 0.88 LTA4H (0.50) LTA4HTSHRL3MBTL1SLC6A2SLC6A4
SCHEMBL12050103 0.88 DRD2 (0.50) LTA4HSLC6A2SLC6A4DRD1DRD2
SCHEMBL1752104 0.86 KDM4E (0.48) TSHRLMNAHTTKDM4EKCNA5
SCHEMBL1752577 0.85 KDM4E (0.56) KDM4EKCNA5
SCHEMBL1751324 0.85 DRD1 (0.43) LTA4HPTGS2TSHRL3MBTL1SLC6A2
SCHEMBL1752005 0.83 HRH3 (0.54) L3MBTL1DRD2KDM4EKCNA5RAB9A
SCHEMBL1752484 0.83 LTA4H (0.55) LTA4HPTGS2DRD1LMNASMN1; SMN2
SCHEMBL1752502 0.82 ALDH1A1 (0.46) LTA4HTSHRRAB9A

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-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS LI SONG 2011-03-10 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 CHIT1 2995/4885CHIA 1924/4885LTA4H 3580/4885
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors RNASEH1, PIR, HAVCR2 CHIT1 2995/4885CHIA 1924/4885LTA4H 3580/4885

“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.