Sugi Predict

Sugi Predict / Compounds / SCHEMBL401714

SCHEMBL401714

SCHEMBL401714

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 8/20 0.49
▸ HTR1A P08908 3/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ CCR3 P51677 1/20 0.44
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ICAM1 P05362 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL401272 0.91 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2
SCHEMBL3734785 0.90 NAMPT (0.47) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL402086 0.89 ACKR3 (0.51) ACKR3HTR1AHTR1DHTR1BCCR3
SCHEMBL402629 0.89 HTR1A (0.54) ACKR3HTR1ANPC1TP53RAB9A
SCHEMBL401393 0.87 CYP1A2 (0.48) HTR1AHTR1DHTR1BPIK3CDPIK3CA
SCHEMBL3736252 0.87 NAMPT (0.42) ACKR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3742162 0.87 NAMPT (0.42) ACKR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL399031 0.85 PIK3CA (0.41) CCR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL402925 0.84 ACKR3 (0.42) ACKR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4295224 0.84 ACKR3 (0.45) ACKR3HTR1AHTR1DHTR1BRAB9A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US claimed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US claimed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US claimed
EP-2862859-A2 Compounds, compositions and methods Cytokinetics, Inc. (US) 2015-04-22 — — EP claimed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 — — EP claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO claimed
US-20060014761-A1 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, INCORPORATED 2006-01-19 — — US claimed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 — — US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 — — US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 — — US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 — — WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO disclosed
US-20060014761-A1 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, INCORPORATED 2006-01-19 — — 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 (10 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ACKR3 4779/4885HTR1A 4023/4885HTR1D 4122/4885
US-20060014761-A1 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 TNNI3, MYLK2, TNNT2 ACKR3 4522/4885HTR1A 2635/4885HTR1D 2382/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885HTR1A 3992/4885HTR1D 3741/4885

“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.