SCHEMBL2562935

SCHEMBL2562935

NC(=O)c1cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c(F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
NPY5R Q15761 2/20 0.32
SLC6A9 P48067 3/20 0.31
ROCK2 O75116 2/20 0.31
IL1B P01584 4/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL14998360 1.00 KCNH2 (0.47) KCNH2NPY5RSLC6A9ROCK2IL1B
SCHEMBL14998358 0.90 KCNH2 (0.41) KCNH2NPY5RSLC6A9IL1BMAPT
SCHEMBL2575025 0.90 KCNH2 (0.45) KCNH2NPY5RIL1B
SCHEMBL12287721 0.90 KCNH2 (0.58) KCNH2NPY5RSLC6A9IL1BMAPT
SCHEMBL17690324 0.89 KCNH2 (0.45) KCNH2MAPTHTT
SCHEMBL16524629 0.88 KCNH2 (0.36) KCNH2NPY5RSLC6A9IL1B
SCHEMBL14998315 0.88 KCNH2 (0.47) KCNH2SLC6A9ROCK2IL1BMAPT
SCHEMBL2562548 0.88 KCNH2 (0.47) KCNH2SLC6A9ROCK2IL1BMAPT
SCHEMBL14998239 0.87 KCNH2 (0.49) KCNH2NPY5RSLC6A9IL1BMAPT
SCHEMBL14734703 0.87 KCNH2 (0.47) KCNH2NPY5RSLC6A9ROCK2MAPT

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-2563365-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2016-04-20 EP claimed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US claimed
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed
US-10076519-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2018-09-18 US disclosed
US-20170281621-A1 SUBSTITUTED PYRIDAZINES AS SKELETAL MUSCLE MODULATORS CYTOKINETICS INC (US) 2017-10-05 US disclosed
US-9604965-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2017-03-28 US disclosed
EP-3127541-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2017-02-08 EP disclosed
EP-2563365-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2016-04-20 EP disclosed
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2015-11-12 US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US disclosed
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 US disclosed
EP-2563365-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2013-03-06 EP disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 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 (4 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-20170281621-A1 SUBSTITUTED PYRIDAZINES AS SKELETAL MUSCLE MODULATORS MUSK, PYGM, GYS1 KCNH2 767/4885NPY5R 37/4885SLC6A9 521/4885
US-10076519-B2 Substituted pyridazines as skeletal muscle modulators MUSK, PYGM, GYS1 KCNH2 767/4885NPY5R 37/4885SLC6A9 521/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 KCNH2 442/4885NPY5R 13/4885SLC6A9 59/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 KCNH2 441/4885NPY5R 11/4885SLC6A9 56/4885

“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.