SCHEMBL10192171

SCHEMBL10192171

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.44
PTPN1 P18031 6/20 0.44
HSD17B3 P37058 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
KIF11 P52732 1/20 0.43
KCNH2 Q12809 1/20 0.43
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL644946 1.00 ACP1 (0.44) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL10192161 0.94 KIF11 (0.42) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL10192166 0.91 KCNH2 (0.41) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL644015 0.91 KIF11 (0.51) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL647515 0.91 KCNH2 (0.41) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL646807 0.90 CYP19A1 (0.42) KDM4ENPSR1KIF11KCNH2ALDH1A1
SCHEMBL12735763 0.90 CYP19A1 (0.42) KDM4ENPSR1KIF11KCNH2ALDH1A1
SCHEMBL646487 0.89 KIF11 (0.39) ACP1PTPN1HSD17B3KDM4EGLA
SCHEMBL12735768 0.86 KIF11 (0.37) KDM4EKIF11KCNH2ALDH1A1TDP1
SCHEMBL13588040 0.84 ACP1 (0.44) ACP1PTPN1HSD17B3KDM4EGLA

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 13 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-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-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
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ACP1 141/4885PTPN1 4045/4885HSD17B3 739/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ACP1 141/4885PTPN1 4045/4885HSD17B3 739/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ACP1 141/4885PTPN1 4045/4885HSD17B3 739/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ACP1 141/4885PTPN1 4045/4885HSD17B3 739/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ACP1 141/4885PTPN1 4045/4885HSD17B3 739/4885

“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.