SCHEMBL1373007

SCHEMBL1373007

CC1ON(OC(=O)C(F)(F)F)c2c1c(-c1ccc(OC3CCNCC3)cc1)n[nH]c2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
GRK6 P43250 1/20 0.37
ROCK1 Q13464 3/20 0.34
ROCK2 O75116 1/20 0.34
NAMPT P43490 1/20 0.34
CHEK2 O96017 1/20 0.33
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
TIPARP Q7Z3E1 1/20 0.32
WNT1 P04628 2/20 0.32
KHK P50053 1/20 0.32
KCNH2 Q12809 1/20 0.32
BTK Q06187 2/20 0.32
PARP1 P09874 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL1373010 0.70 GRK6 (0.40) HRH3GRK6ROCK1ROCK2NAMPT
SCHEMBL1374170 0.65 HRH3 (0.43) HRH3GRK6ROCK1ROCK2CHEK2
SCHEMBL1376089 0.62 HRH1 (0.36) HRH3GRK6ROCK1ROCK2CHEK2
SCHEMBL2019376 0.60 HRH1 (0.70) HRH3GRK6ROCK1ROCK2CHEK2
SCHEMBL943763 0.60 TDO2 (0.45) ROCK1TIPARP
Trifluoroacetic Acid SCHEMBL1376086 0.60 HRH3 (0.56) HRH3GRK6CHEK2KCNH2
Trifluoroacetic Acid SCHEMBL2823895 0.60 HRH1 (0.53) HRH3GRK6ROCK1ROCK2CHEK2
SCHEMBL27790327 0.59 ELANE (0.53) HRH3GRK6ROCK1ROCK2CHEK2
SCHEMBL6156469 0.59 EPHX1 (0.54) KCNH2
Trifluoroacetic Acid SCHEMBL4233307 0.58 EPHX2 (0.50) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US 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 (5 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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 HRH3 4/4885GRK6 897/4885ROCK1 1700/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885GRK6 363/4885ROCK1 2735/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885GRK6 409/4885ROCK1 2622/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 HRH3 1/4885GRK6 440/4885ROCK1 2647/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885GRK6 363/4885ROCK1 2735/4885

“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.