SCHEMBL16110855

SCHEMBL16110855

CCOC(=O)c1ccc2c(=O)[nH]nc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGDS O60760 1/20 0.46
ALOX5 P09917 3/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL16110057 0.96 KDM4E (0.61) KDM4EPOLBJAK2JAK3RAB9A
SCHEMBL16110055 0.81 KDM4E (0.58) KDM4EPOLBRAB9AL3MBTL1TUBB4A
SCHEMBL16363693 0.80 ALDH1A1 (0.46) KDM4EPOLBRAB9APDE4APDE4B
SCHEMBL16110691 0.79 KDM4E (0.55) KDM4EPOLBRAB9AL3MBTL1TUBB4A
SCHEMBL10923985 0.77 ALOX5 (0.53) JAK2JAK3L3MBTL1HPGDSALOX5
SCHEMBL16363694 0.76 FGFR1 (0.44) KDM4EPOLBPDE4APDE4BPDE4C
SCHEMBL7759940 0.74 TRPV1 (0.61) POLBRAB9AALOX5TRPM8TRPV1
SCHEMBL1788378 0.74 NPSR1 (0.67) KDM4EPOLBMAPK1PDE4APDE4B
SCHEMBL4058183 0.74 KDM4E (0.55) KDM4EPOLBRAB9AL3MBTL1TUBB4A
SCHEMBL12933526 0.74 POLB (0.69) KDM4EPOLBRAB9AL3MBTL1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
EP-2968323-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 EP disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 US disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 US disclosed
WO-2014160440-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO disclosed
WO-2014160440-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO 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 (3 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-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO KDM4E 3610/4885POLB 1243/4885JAK2 3158/4885
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO KDM4E 3610/4885POLB 1243/4885JAK2 3158/4885
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis CFTR, SLC26A4, PNPO KDM4E 3610/4885POLB 1243/4885JAK2 3158/4885

“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.