SCHEMBL15831731

SCHEMBL15831731

CCOC(=O)C1CC(C)(C)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.36
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 2/20 0.34
CYP3A4 P08684 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
PPP1CC P36873 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL9334473 1.00 LMNA (0.37) LMNAALDH1A1KDM4ECYP2D6CYP2C9
Hydrochloric Acid SCHEMBL17392918 0.98 KDM4E (0.37) LMNAALDH1A1KDM4ECYP2D6CYP2C9
Hydrochloric Acid SCHEMBL17392916 0.98 KDM4E (0.37) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL8273057 0.84 LMNA (0.36) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL27111119 0.81 LMNA (0.34) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL697217 0.81 KDM4E (0.35) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL30753324 0.81 KDM4E (0.37) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL15831734 0.81 KDM4E (0.35) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL9334509 0.81 KDM4E (0.37) LMNAALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL2905487 0.79 BACE1 (0.46) ALDH1A1KDM4ECYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed
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 LMNA 4080/4885ALDH1A1 3567/4885KDM4E 3165/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 LMNA 4413/4885ALDH1A1 3068/4885KDM4E 2755/4885

“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.