SCHEMBL2564101

SCHEMBL2564101

N#Cc1ccc(F)c(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
GRM5 P41594 1/20 0.34
NPY5R Q15761 2/20 0.34
CHRM4 P08173 2/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
P2RX7 Q99572 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
SCHEMBL14998238 1.00 KCNH2 (0.38) KCNH2GRM5NPY5RCHRM4CHRM2
SCHEMBL15002825 1.00 KCNH2 (0.38) KCNH2GRM5NPY5RCHRM4CHRM2
SCHEMBL2562022 0.88 CYP1A2 (0.38) KCNH2CYP3A4CYP2D6
SCHEMBL14998247 0.88 CYP1A2 (0.38) KCNH2CYP3A4CYP2D6
SCHEMBL12288163 0.88 CYP1A2 (0.38) KCNH2CYP3A4CYP2D6
SCHEMBL15009440 0.87 GRM5 (0.34) GRM5P2RX7
SCHEMBL15009444 0.87 GRM5 (0.34) GRM5P2RX7
SCHEMBL2564485 0.84 KCNH2 (0.46) KCNH2NPY5RCHRM4CHRM2CYP3A4
SCHEMBL14998240 0.84 KCNH2 (0.46) KCNH2NPY5RCHRM4CHRM2CYP3A4
SCHEMBL14998419 0.83 KCNH2 (0.39) KCNH2NPY5R

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 13 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
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 KCNH2 767/4885GRM5 122/4885NPY5R 37/4885
US-10076519-B2 Substituted pyridazines as skeletal muscle modulators MUSK, PYGM, GYS1 KCNH2 767/4885GRM5 122/4885NPY5R 37/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 KCNH2 442/4885GRM5 177/4885NPY5R 13/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 KCNH2 441/4885GRM5 165/4885NPY5R 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.