SCHEMBL12288592

SCHEMBL12288592

NC(=O)c1ccc2nc(NC3(c4ncccc4F)CCC3)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
FGFR4 P22455 2/20 0.40
KCNH2 Q12809 1/20 0.40
VNN1 O95497 1/20 0.38
HDAC3 O15379 11/20 0.38
HDAC1 Q13547 11/20 0.38
HDAC2 Q92769 11/20 0.38
HDAC6 Q9UBN7 11/20 0.38
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
AURKB Q96GD4 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
SCHEMBL29724793 1.00 ROCK2 (0.40) ROCK2FGFR4KCNH2VNN1HDAC3
SCHEMBL29724839 0.85 HDAC3 (0.49) KCNH2VNN1HDAC3HDAC1HDAC2
SCHEMBL14936917 0.85 HDAC3 (0.49) KCNH2VNN1HDAC3HDAC1HDAC2
SCHEMBL12288024 0.83 PDE4B (0.42) FGFR4KCNH2VNN1HDAC3HDAC1
SCHEMBL29725003 0.83 PDE4B (0.42) FGFR4KCNH2VNN1HDAC3HDAC1
SCHEMBL12288588 0.82 HDAC3 (0.34) ROCK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL14936829 0.82 ROCK2 (0.39) ROCK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL19942160 0.82 ROCK2 (0.33) ROCK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL12294258 0.81 KCNH2 (0.39) FGFR4KCNH2VNN1HDAC3HDAC1
SCHEMBL12288593 0.81 NPC1 (0.39) ROCK2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2023-01-26 US disclosed
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2023-01-26 US disclosed
US-11369565-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2022-06-28 US disclosed
US-11369565-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2022-06-28 US disclosed
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2021-02-18 US disclosed
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2021-02-18 US disclosed
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2020-09-08 US disclosed
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2020-09-08 US disclosed
EP-3698795-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2020-08-26 EP disclosed
EP-3698795-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2020-08-26 EP disclosed
US-8962632-B2 Certain amino-pyrimidines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-02-24 US disclosed
US-8962632-B2 Certain amino-pyrimidines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-02-24 US disclosed
US-8962632-B2 Certain amino-pyrimidines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-02-24 US disclosed
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2014-07-24 US disclosed
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2014-07-24 US disclosed
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2014-07-24 US disclosed
US-20130123289-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-05-16 US disclosed
US-20130123289-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-05-16 US disclosed
US-20130123289-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-05-16 US disclosed
WO-2011133888-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR 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 (6 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-11369565-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 ROCK2 3315/4885FGFR4 2840/4885KCNH2 3055/4885
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 ROCK2 3066/4885FGFR4 1740/4885KCNH2 3128/4885
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 ROCK2 3066/4885FGFR4 1740/4885KCNH2 3128/4885
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 ROCK2 3315/4885FGFR4 2840/4885KCNH2 3055/4885
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE HPRT1, TYMP, TYMS ROCK2 3584/4885FGFR4 1353/4885KCNH2 2670/4885
US-20130123289-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE HPRT1, TYMP, TYMS ROCK2 3584/4885FGFR4 1353/4885KCNH2 2670/4885

“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.