SCHEMBL12289930

SCHEMBL12289930

CC(C)(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.40
▸ PSEN1 P49768 3/20 0.40
▸ PSEN2 P49810 3/20 0.40
▸ APH1B Q8WW43 3/20 0.40
▸ NCSTN Q92542 3/20 0.40
▸ APH1A Q96BI3 3/20 0.40
▸ PSENEN Q9NZ42 3/20 0.40
▸ MAPT P10636 3/20 0.38
▸ GRIA1 P42261 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35

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
SCHEMBL22191096 0.82 PSEN1 (0.52) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL2562421 0.80 PSEN1 (0.40) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL12289961 0.76 PDE3B (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287887 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287262 0.72 MAPT (0.40) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL14991117 0.72 GRIA1 (0.38) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL12287625 0.72 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12289929 0.71 KCNA5 (0.39) DYRK1AMAPTGRIA1NPC1RAB9A
SCHEMBL22191333 0.69 AURKA (0.53) DYRK1AMAPTMEN1KMT2AGAA
SCHEMBL21170087 0.69 PSEN1 (0.41) DYRK1APSEN1PSEN2APH1BNCSTN

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP 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 (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 DYRK1A 1408/4885PSEN1 2563/4885PSEN2 3315/4885
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 DYRK1A 1366/4885PSEN1 1365/4885PSEN2 1728/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 DYRK1A 1353/4885PSEN1 1351/4885PSEN2 1714/4885

“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.

Send feedback