Sugi Predict

Sugi Predict / Compounds / SCHEMBL10192161

SCHEMBL10192161

SCHEMBL10192161

Cc1ccc(C2=NC(C)(C)CN2[C@@H](c2oc3cc(C)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ACP1 P24666 7/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NQO1 P15559 1/20 0.32

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
SCHEMBL10192171 0.94 ACP1 (0.44) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL644946 0.94 ACP1 (0.44) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL644015 0.94 KIF11 (0.51) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL10192166 0.94 KCNH2 (0.41) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL647515 0.94 KCNH2 (0.41) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL646807 0.92 CYP19A1 (0.42) KIF11KCNH2KDM4ENPSR1POLB
SCHEMBL12735763 0.92 CYP19A1 (0.42) KIF11KCNH2KDM4ENPSR1POLB
SCHEMBL646487 0.92 KIF11 (0.39) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL12735768 0.88 KIF11 (0.37) KIF11KCNH2KDM4EMEN1KMT2A
SCHEMBL646806 0.85 KIF11 (0.36) KIF11KCNH2ACP1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 — — 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-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885

“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.