Sugi Predict

Sugi Predict / Compounds / SCHEMBL403382

SCHEMBL403382

SCHEMBL403382

Cc1ccc(NC(=O)Nc2cc(F)cc(CN3CCC[C@H](N(C)S(=O)(=O)N(C)C)C3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ ADRB2 P07550 2/20 0.42
▸ OGA O60502 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ ACKR3 P25106 2/20 0.36
▸ LDLR P01130 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36

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
SCHEMBL403383 1.00 CYP1A2 (0.43) CYP1A2ADRB2OGAPOLBRORC
SCHEMBL402335 0.95 CYP1A2 (0.45) CYP1A2ADRB2MAPK8MAPK10CCR3
SCHEMBL402721 0.90 CYP1A2 (0.44) CYP1A2OGAPOLBMAPK8MAPK10
SCHEMBL397383 0.89 CYP1A2 (0.54) CYP1A2NAMPT
SCHEMBL397384 0.89 CYP1A2 (0.54) CYP1A2NAMPT
SCHEMBL401975 0.87 CYP1A2 (0.41) CYP1A2ADRB2POLBCCR3ACKR3
SCHEMBL436307 0.84 CYP1A2 (0.56) CYP1A2NAMPTCCR3
SCHEMBL400744 0.83 CYP1A2 (0.41) CYP1A2OGAPOLBCCR3ACKR3
SCHEMBL401744 0.82 ADRB2 (0.36) ADRB2POLBRORCACKR3
SCHEMBL399932 0.82 CYP1A2 (0.41) CYP1A2OGAPOLBCCR3ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US claimed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 — — US claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US claimed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 — — US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US disclosed
US-8871769-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE CYTOKINETICS, INCORPORATED (US) 2014-02-06 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 — — US disclosed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 — — US disclosed
US-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 — — US disclosed
US-7507735-B2 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INC. (US) 2009-03-24 — — US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US 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 (7 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 CYP1A2 3816/4885ADRB2 603/4885OGA 2302/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885ADRB2 376/4885OGA 2790/4885
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE TNNI3, TNNT2, MYLK2 CYP1A2 3816/4885ADRB2 603/4885OGA 2302/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885ADRB2 376/4885OGA 2790/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 CYP1A2 4402/4885ADRB2 372/4885OGA 2457/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CYP1A2 4402/4885ADRB2 372/4885OGA 2457/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885ADRB2 376/4885OGA 2790/4885

“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.