SCHEMBL1751930

SCHEMBL1751930

OCCC1CCN(c2cc(Cl)nnc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PGK1 P00558 1/20 0.34
MAPT P10636 1/20 0.34
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CSF1R P07333 1/20 0.33
PDE5A O76074 2/20 0.32
ACHE P22303 1/20 0.32
AKR1C3 P42330 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ENPP2 Q13822 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL2592328 0.88 IRAK4 (0.37) TYMPLMNAHTTIRAK4
SCHEMBL2631006 0.78 CYP1A2 (0.32) FFAR4CYP1A2CYP2D6LMNAHTT
SCHEMBL30911787 0.76 TYMP (0.40) TYMPFFAR4CYP1A2CYP2D6PGK1
SCHEMBL1752221 0.76 DRD2 (0.50) MAPT
SCHEMBL1751834 0.75 CHEK2 (0.39) MAPT
SCHEMBL5884802 0.75 LMNA (0.58) CYP1A2MAPTLMNAHTT
SCHEMBL1751677 0.73 CHEK2 (0.41)
SCHEMBL1752031 0.73 DRD2 (0.40) CYP2D6MAPTACHELMNA
SCHEMBL1751628 0.73 SIGMAR1 (0.41)
SCHEMBL1751870 0.73 MAPT (0.42) MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TYMP 210/4885FFAR4 4320/4885CYP1A2 1277/4885
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors RNASEH1, PIR, HAVCR2 TYMP 210/4885FFAR4 4320/4885CYP1A2 1277/4885

“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.