SCHEMBL2562548

SCHEMBL2562548

NC(=O)c1cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK1 P49759 4/20 0.33
DYRK1A Q13627 4/20 0.33
CHUK O15111 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
ROCK2 O75116 2/20 0.32
SLC6A9 P48067 2/20 0.31
GSK3B P49841 1/20 0.31
IL1B P01584 3/20 0.31
ATM Q13315 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL14998315 1.00 KCNH2 (0.47) KCNH2MEN1KMT2ACLK1DYRK1A
SCHEMBL17685245 0.93 KCNH2 (0.48) KCNH2MAPTHTTROCK2SLC6A9
SCHEMBL16524179 0.92 KCNH2 (0.42) KCNH2MEN1KMT2ASLC6A9IL1B
SCHEMBL14998309 0.92 KCNH2 (0.42) KCNH2MEN1KMT2ASLC6A9IL1B
SCHEMBL14998314 0.90 KCNH2 (0.41) KCNH2SLC6A9IL1B
SCHEMBL2558225 0.90 KCNH2 (0.58) KCNH2MEN1KMT2ACLK1DYRK1A
SCHEMBL14998329 0.90 KCNH2 (0.40) KCNH2SLC6A9IL1B
SCHEMBL16524132 0.90 KCNH2 (0.40) KCNH2SLC6A9IL1B
SCHEMBL14998436 0.89 KCNH2 (0.45) KCNH2MEN1KMT2ADYRK1AMAPT
SCHEMBL16524171 0.89 KCNH2 (0.45) KCNH2MEN1KMT2ADYRK1AMAPT

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 6 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
US-9604965-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2017-03-28 US disclosed
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2015-11-12 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 (1 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-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 KCNH2 441/4885MEN1 778/4885KMT2A 2211/4885

“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.