SCHEMBL1752631

SCHEMBL1752631

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHEK2 O96017 4/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
NAAA Q02083 1/20 0.38
CHRM4 P08173 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1751840 0.91 KCNH2 (0.43) MAPTALDH1A1CHEK2PPARGPPARD
SCHEMBL1751677 0.90 CHEK2 (0.41) KDM4ECHEK2PPARGPPARDGPR119
SCHEMBL1751834 0.87 CHEK2 (0.39) MAPTDRD2DRD4CHEK2PPARG
SCHEMBL1751628 0.81 SIGMAR1 (0.41) MEN1KMT2ACHRM4
SCHEMBL15004677 0.79 KCNH2 (0.42) MAPTRAB9ANPC1CHEK2PPARG
SCHEMBL9212796 0.78 PIK3CA (0.44) MAPTKDM4EALDH1A1CHEK2PPARG
SCHEMBL927581 0.77 MAPT (0.70) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL9218920 0.76 KCNH2 (0.43) MAPTPPARGPPARDCYP2C9CYP2C19
SCHEMBL9214586 0.74 LMNA (0.46) DRD2DRD4MEN1KMT2ACHEK2
SCHEMBL1752031 0.74 DRD2 (0.40) MAPTKDM4EDRD2DRD4ALDH1A1

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 MAPT 829/4885KDM4E 1857/4885RAB9A 2849/4885
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors RNASEH1, PIR, HAVCR2 MAPT 829/4885KDM4E 1857/4885RAB9A 2849/4885

“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.