Sugi Predict

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SCHEMBL4244078

SCHEMBL4244078

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(=O)(=O)N(C)C)C[C@H]3C)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK10 P53779 7/20 0.38
▸ MAPK8 P45983 6/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ OGA O60502 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL4239733 1.00 CYP1A2 (0.42) CYP1A2MAPK10MAPK8NPSR1PIK3R1
SCHEMBL4239738 1.00 CYP1A2 (0.42) CYP1A2MAPK10MAPK8NPSR1PIK3R1
SCHEMBL4235554 0.91 PIK3CA (0.40) MAPK10MAPK8NPSR1PIK3R1MTOR
SCHEMBL4237716 0.91 MAPK10 (0.39) MAPK10MAPK8NPSR1PIK3R1MTOR
SCHEMBL4237715 0.91 MAPK10 (0.39) MAPK10MAPK8NPSR1PIK3R1MTOR
SCHEMBL4235558 0.91 PIK3CA (0.40) MAPK10MAPK8NPSR1PIK3R1MTOR
SCHEMBL4791297 0.91 CYP1A2 (0.39) CYP1A2PIK3R1MTORHTTOGA
SCHEMBL4791299 0.91 CYP1A2 (0.39) CYP1A2PIK3R1MTORHTTOGA
SCHEMBL5134337 0.90 CYP1A2 (0.36) CYP1A2MAPK10MAPK8NPSR1PIK3R1
SCHEMBL4244038 0.90 CYP1A2 (0.40) CYP1A2MAPK10MAPK8NPSR1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 — — US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 — — WO claimed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 — — US disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 — — 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 (2 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP1A2 4662/4885MAPK10 2706/4885MAPK8 3594/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 CYP1A2 4662/4885MAPK10 2706/4885MAPK8 3594/4885

“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.