SCHEMBL2562022

SCHEMBL2562022

N#Cc1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.38
CLK4 Q9HAZ1 8/20 0.38
HSD17B10 Q99714 7/20 0.38
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2C19 P33261 6/20 0.38
KCNH2 Q12809 1/20 0.38
BACE1 P56817 1/20 0.37
MAPK1 P28482 5/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 3/20 0.35
CYP2D6 P10635 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 3/20 0.35
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34

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
SCHEMBL14998247 1.00 CYP1A2 (0.38) CYP1A2CLK4HSD17B10ALDH1A1CYP3A4
SCHEMBL12288163 1.00 CYP1A2 (0.38) CYP1A2CLK4HSD17B10ALDH1A1CYP3A4
SCHEMBL18470525 0.92 BACE1 (0.39) CYP1A2CLK4HSD17B10ALDH1A1CYP3A4
SCHEMBL2562049 0.89 KCNH2 (0.39) KCNH2BACE1
SCHEMBL14998419 0.89 KCNH2 (0.39) KCNH2BACE1
SCHEMBL14998238 0.88 KCNH2 (0.38) CYP3A4KCNH2CYP2D6
SCHEMBL15002825 0.88 KCNH2 (0.38) CYP3A4KCNH2CYP2D6
SCHEMBL2564101 0.88 KCNH2 (0.38) CYP3A4KCNH2CYP2D6
SCHEMBL14998274 0.85 KCNH2 (0.41) KCNH2DPP4
SCHEMBL2563342 0.85 KCNH2 (0.46) ALDH1A1KCNH2MAPTDPP4SMN1; SMN2

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 14 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
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
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 CYP1A2 1022/4885CLK4 2041/4885HSD17B10 3337/4885
US-10076519-B2 Substituted pyridazines as skeletal muscle modulators MUSK, PYGM, GYS1 CYP1A2 1022/4885CLK4 2041/4885HSD17B10 3337/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 CYP1A2 308/4885CLK4 2399/4885HSD17B10 3640/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 CYP1A2 315/4885CLK4 2387/4885HSD17B10 3626/4885

“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.