SCHEMBL15831734

SCHEMBL15831734

CCOC(=O)C1CC(F)(F)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 2/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
PPP1CC P36873 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSC P53634 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
SCHEMBL697217 1.00 KDM4E (0.35) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1440957 0.84 KDM4E (0.34) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL19343952 0.83 ALDH1A1 (0.37) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL3640745 0.83 MAPT (0.34) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL24021029 0.83 KDM4E (0.34) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1441645 0.83 KDM4E (0.34) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9334473 0.81 LMNA (0.37) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL15831731 0.81 LMNA (0.37) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1700240 0.80 BACE1 (0.44) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL695394 0.80 BACE1 (0.44) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
WO-2014105958-A2 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-03 WO disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 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 (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-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 KDM4E 3165/4885CYP2D6 3869/4885CYP2C9 4100/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 KDM4E 2755/4885CYP2D6 3864/4885CYP2C9 3975/4885

“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.