SCHEMBL2562645

SCHEMBL2562645

CC(C)(CNc1ncc(Br)cn1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
VNN1 O95497 3/20 0.39
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
KCNA5 P22460 4/20 0.34
HCRTR1 O43613 1/20 0.32

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
SCHEMBL17080669 0.84 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL12294290 0.82 ATM (0.43) NPC1RAB9A
SCHEMBL19942194 0.81 VNN1 (0.39) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL2566143 0.80 VNN1 (0.49) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL2560721 0.78 VNN1 (0.47) HDAC6HDAC3HDAC1HDAC2NPC1
SCHEMBL2560278 0.78 HDAC3 (0.53) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL12288410 0.76 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL2560412 0.76 GPR55 (0.45) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL27899243 0.76 VNN1 (0.38) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL12288597 0.74 VNN1 (0.44) HDAC6HDAC3HDAC1HDAC2VNN1

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 53 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
CN-112047926-A Certain amino-pyrimidines, compositions thereof and methods of use thereof 赛特凯恩蒂克公司 2020-12-08 CN 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
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2014-07-24 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 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
EP-2560653-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
EP-2560488-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
WO-2011133888-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO 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 (7 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 HDAC6 2861/4885HDAC3 3047/4885HDAC1 1672/4885
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 HDAC6 2667/4885HDAC3 3180/4885HDAC1 2308/4885
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 HDAC6 2667/4885HDAC3 3180/4885HDAC1 2308/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 HDAC6 1208/4885HDAC3 602/4885HDAC1 786/4885
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 HDAC6 2861/4885HDAC3 3047/4885HDAC1 1672/4885
US-20140206709-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE HPRT1, TYMP, TYMS HDAC6 3656/4885HDAC3 4217/4885HDAC1 3791/4885
US-20130123289-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE HPRT1, TYMP, TYMS HDAC6 3656/4885HDAC3 4217/4885HDAC1 3791/4885

“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.