Sugi Predict

Sugi Predict / Compounds / SCHEMBL4244038

SCHEMBL4244038

SCHEMBL4244038

Cc1ccc(NC(=O)Nc2cccc(CN3[C@H](C)CN(S(=O)(=O)N(C)C)C[C@@H]3C)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK10 P53779 8/20 0.39
▸ MAPK8 P45983 7/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ DDX3X O00571 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ LIMK1 P53667 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
SCHEMBL4233644 0.91 MAPK10 (0.40) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL4239733 0.90 CYP1A2 (0.42) CYP1A2MAPK10MAPK8NPSR1HTT
SCHEMBL4239738 0.90 CYP1A2 (0.42) CYP1A2MAPK10MAPK8NPSR1HTT
SCHEMBL4244078 0.90 CYP1A2 (0.42) CYP1A2MAPK10MAPK8NPSR1HTT
SCHEMBL399123 0.89 CYP1A2 (0.49) CYP1A2HTTMAPT
SCHEMBL31555161 0.87 MAPK10 (0.40) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL402989 0.87 MAPK10 (0.40) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL23573782 0.86 NPSR1 (0.42) CYP1A2MAPK10MAPK8NPSR1HTT
SCHEMBL4235546 0.85 NPC1 (0.44) CYP1A2MAPK10MAPK8NPSR1HTT
SCHEMBL3204580 0.85 NPSR1 (0.41) MAPK10MAPK8NPSR1HTTMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.