Sugi Predict

Sugi Predict / Compounds / SCHEMBL647515

SCHEMBL647515

SCHEMBL647515

Cc1ccc(C2=NC(C)(C)CN2C(c2oc3cc(F)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ MAOB P27338 3/20 0.35
▸ ACP1 P24666 5/20 0.35
▸ PTPN1 P18031 3/20 0.35
▸ HSD17B3 P37058 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ CYP17A1 P05093 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ ESR1 P03372 2/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ AR P10275 1/20 0.30

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
SCHEMBL10192166 1.00 KCNH2 (0.41) KCNH2KIF11MAOBACP1PTPN1
SCHEMBL10192161 0.94 KIF11 (0.42) KCNH2KIF11ACP1PTPN1HSD17B3
SCHEMBL646806 0.92 KIF11 (0.36) KCNH2KIF11ACP1PTPN1HSD17B3
SCHEMBL10192171 0.91 ACP1 (0.44) KCNH2KIF11ACP1PTPN1HSD17B3
SCHEMBL644946 0.91 ACP1 (0.44) KCNH2KIF11ACP1PTPN1HSD17B3
SCHEMBL644015 0.91 KIF11 (0.51) KCNH2KIF11ACP1PTPN1HSD17B3
SCHEMBL646807 0.89 CYP19A1 (0.42) KCNH2KIF11MAOBKDM4ENPSR1
SCHEMBL12735763 0.89 CYP19A1 (0.42) KCNH2KIF11MAOBKDM4ENPSR1
SCHEMBL646487 0.89 KIF11 (0.39) KCNH2KIF11MAOBACP1PTPN1
SCHEMBL644181 0.86 KCNH2 (0.43) KCNH2KIF11MAOBACP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 — — US claimed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 — — EP claimed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 — — WO claimed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 — — US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 — — US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 — — US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 — — US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 — — US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 — — US disclosed
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 — — US disclosed
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 — — US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 — — US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 — — US disclosed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 — — EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 — — WO disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 — — US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 — — US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 — — 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 (6 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 KCNH2 3954/4885KIF11 525/4885MAOB 3665/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KCNH2 955/4885KIF11 20/4885MAOB 3682/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885

“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.