SCHEMBL14734703

SCHEMBL14734703

NC(=O)c1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
ROCK2 O75116 5/20 0.34
NPY5R Q15761 2/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
LMNA P02545 1/20 0.30
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14998416 1.00 KCNH2 (0.47) KCNH2ROCK2NPY5RMAPTHTT
SCHEMBL16524158 0.92 KCNH2 (0.42) KCNH2NPY5RMAPTALDH1A1NPC1
SCHEMBL14998433 0.92 KCNH2 (0.42) KCNH2NPY5RMAPTALDH1A1NPC1
SCHEMBL14998430 0.91 KCNH2 (0.41) KCNH2NPY5RMAPTALDH1A1NPC1
SCHEMBL12287557 0.90 KCNH2 (0.59) KCNH2ROCK2NPY5RMAPTHTT
SCHEMBL14998451 0.89 KCNH2 (0.45) KCNH2ROCK2NPY5RMAPTHTT
SCHEMBL16524194 0.89 KCNH2 (0.45) KCNH2ROCK2NPY5RMAPTHTT
SCHEMBL2576930 0.88 KCNH2 (0.44) KCNH2NPY5RMAPTALDH1A1NPC1
SCHEMBL2564354 0.88 KCNH2 (0.47) KCNH2MAPTHTTSLC6A9
SCHEMBL12287989 0.88 KCNH2 (0.47) KCNH2MAPTHTTSLC6A9

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 5 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

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 441/4885ROCK2 2210/4885NPY5R 11/4885

“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.