SCHEMBL2558433

SCHEMBL2558433

Cc1cc(NCC(C)(C)c2ccc(F)cc2)nnc1-c1cccc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
DHODH Q02127 1/20 0.39
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
MAP2K4 P45985 2/20 0.38
TNF P01375 1/20 0.37
IL1B P01584 1/20 0.37
CLK1 P49759 1/20 0.36
PARP1 P09874 1/20 0.35
CSNK1E P49674 1/20 0.35
PGK1 P00558 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2561290 0.85 FPR2 (0.40) KDRFPR2SCN9AIL1BCLK1
SCHEMBL2565358 0.83 CLK1 (0.41) KDRFPR2SCN9ACLK1PARP1
SCHEMBL12289884 0.81 KDR (0.43) KDRDHODHFPR2SCN9AMAP2K4
SCHEMBL21170044 0.80 DPP4 (0.40) KDRDHODHMAP2K4CLK1PARP1
SCHEMBL15009129 0.80 CCR6 (0.47) DHODHFPR2SCN9ACLK1
SCHEMBL12287314 0.80 TRPA1 (0.42) TNFIL1B
SCHEMBL29724975 0.78 CLK1 (0.45) KDRCLK1PARP1
SCHEMBL2562385 0.78 CLK1 (0.45) KDRCLK1PARP1
SCHEMBL15009106 0.77 CLK1 (0.43) KDRCLK1
SCHEMBL12287078 0.77 KDR (0.43) KDRDHODHFPR2SCN9AMAP2K4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604965-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2017-03-28 US claimed
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2015-11-12 US claimed
CN-107266419-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2021-05-11 CN disclosed
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed
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-20170281621-A1 SUBSTITUTED PYRIDAZINES AS SKELETAL MUSCLE MODULATORS CYTOKINETICS INC (US) 2017-10-05 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
US-9604965-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2017-03-28 US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 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
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 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
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 KDR 2843/4885DHODH 3558/4885FPR2 3653/4885
US-10076519-B2 Substituted pyridazines as skeletal muscle modulators MUSK, PYGM, GYS1 KDR 2843/4885DHODH 3558/4885FPR2 3653/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 KDR 3267/4885DHODH 2003/4885FPR2 1520/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 KDR 3211/4885DHODH 2062/4885FPR2 1502/4885

“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.