Sugi Predict

Sugi Predict / Compounds / SCHEMBL3198667

SCHEMBL3198667

SCHEMBL3198667

Cc1ccc(NC(=O)Nc2cccc(CN3CCN4C(=O)OC[C@@H]4C3)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK8 P45983 4/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MTOR P42345 4/20 0.36
▸ PIK3R1 P27986 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CCR3 P51677 4/20 0.36
▸ MAPK9 P45984 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
SCHEMBL3198756 1.00 SIRT2 (0.40) SIRT2NPC1RAB9ASMN1; SMN2MAPK8
SCHEMBL397586 0.85 LTA4H (0.42) RAB9AMAPK8MAPK10LTA4HMTOR
SCHEMBL401672 0.85 LTA4H (0.42) RAB9AMAPK8MAPK10LTA4HMTOR
SCHEMBL3196716 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPK8MAPK10
SCHEMBL3198718 0.84 MTOR (0.39) SIRT2NPC1RAB9ASMN1; SMN2MAPK8
SCHEMBL3209486 0.84 MTOR (0.39) SIRT2NPC1RAB9ASMN1; SMN2MAPK8
SCHEMBL402765 0.82 LTA4H (0.41) MAPK8MAPK10LTA4HRORCMTOR
SCHEMBL4238184 0.82 LTA4H (0.41) MAPK8MAPK10LTA4HRORCMTOR
SCHEMBL402476 0.82 LTA4H (0.41) MAPK8MAPK10LTA4HRORCMTOR
SCHEMBL3198122 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPK8MAPK10

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
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US claimed
EP-2862859-A2 Compounds, compositions and methods Cytokinetics, Inc. (US) 2015-04-22 — — EP disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — 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 (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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 SIRT2 3650/4885NPC1 4691/4885RAB9A 3170/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 SIRT2 3650/4885NPC1 4691/4885RAB9A 3170/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 SIRT2 3650/4885NPC1 4691/4885RAB9A 3170/4885

“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.