SCHEMBL12286791

SCHEMBL12286791

CC(C)(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.41
▸ JAK3 P52333 8/20 0.40
▸ CDK2 P24941 7/20 0.40
▸ AURKB Q96GD4 7/20 0.40
▸ ROCK2 O75116 7/20 0.40
▸ ROCK1 Q13464 7/20 0.40
▸ CDC7 O00311 6/20 0.40
▸ DAPK3 O43293 6/20 0.40
▸ CDK1 P06493 6/20 0.40
▸ MARK3 P27448 6/20 0.40
▸ CDK5 Q00535 6/20 0.40
▸ PRKCD Q05655 6/20 0.40
▸ DYRK1A Q13627 6/20 0.40
▸ PRKD2 Q9BZL6 6/20 0.40
▸ GSK3A P49840 5/20 0.40
▸ MAPK12 P53778 5/20 0.40
▸ CSNK2A1 P68400 5/20 0.40
▸ AURKA O14965 4/20 0.40
▸ MAPK13 O15264 4/20 0.40
▸ PRKCG P05129 4/20 0.40

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
SCHEMBL12287883 0.90 JAK2 (0.38) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12289956 0.89 JAK2 (0.42) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12287507 0.84 JAK2 (0.44) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12287060 0.83 DYRK1A (0.35) DYRK1A
SCHEMBL12289967 0.83 JAK2 (0.41) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12286590 0.82 JAK2 (0.46) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12287882 0.81 JAK2 (0.41) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12287487 0.81 JAK2 (0.41) JAK2JAK3CDK2AURKBROCK2
SCHEMBL12289987 0.81 JAK2 (0.44) JAK2JAK3CDK2AURKBROCK2
SCHEMBL21170349 0.80 JAK2 (0.40) JAK2JAK3CDK2AURKBROCK2

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
US-20170281621-A1 SUBSTITUTED PYRIDAZINES AS SKELETAL MUSCLE MODULATORS CYTOKINETICS INC (US) 2017-10-05 — — 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
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-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-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
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 (3 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 JAK2 704/4885JAK3 1060/4885CDK2 2681/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 JAK2 40/4885JAK3 89/4885CDK2 1642/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 JAK2 41/4885JAK3 93/4885CDK2 1648/4885

“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.

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