SCHEMBL7724215

SCHEMBL7724215

CCOCc1cnc(C)nc1N

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
TKT P29401 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11396782 0.84 DHFR (0.54)
SCHEMBL28182812 0.83 LMNA (0.56) LMNATKTKDM4EALDH1A1CYP1A2
SCHEMBL7607052 0.81 LMNA (1.00) LMNATKTKDM4EALDH1A1CYP1A2
SCHEMBL15177870 0.81 LMNA (0.44) LMNATKTKDM4EALDH1A1CYP1A2
SCHEMBL27140362 0.81 LMNA (0.45) LMNA
SCHEMBL12346332 0.79 LMNA (0.63) LMNATKTKDM4EALDH1A1CYP1A2
SCHEMBL20292491 0.79 LMNA (0.42) LMNATKTKDM4EALDH1A1
SCHEMBL20292482 0.79 LMNA (0.42) LMNAKDM4EALDH1A1CYP1A2TSHR
SCHEMBL18987265 0.76 LMNA (0.65) LMNATKTKDM4EALDH1A1CYP1A2
SCHEMBL23748348 0.75 LMNA (0.63) LMNATKTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101555547-B Passivant for inhibiting iron and aluminium impurity acid split leaching of phosphorite and operation method thereof UNIV SICHUAN 2010-12-01 CN claimed
CN-101555547-A Passivant for inhibiting iron and aluminium impurity acid split leaching of phosphorite and operation method thereof UNIV SICHUAN (CN) 2009-10-14 CN claimed
US-20180237358-A1 RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF ZHONGSHAN HOSPITAL FUDAN UNIVERSITY (CN) 2018-08-23 US disclosed
EP-3339308-A1 RADIOISOTOPE FLUORINE-18 SUBSTITUTED THIAMINE, SYNTHESIS METHOD THEREFOR, AND APPLICATIONS THEREOF Zhongshan Hospital Fudan University (CN) 2018-06-27 EP disclosed
CN-105085509-B Radio isotope fluorine 18 generation thiamine, synthetic method and application 复旦大学附属中山医院 2018-02-23 CN disclosed
CN-105085509-A Radioisotope 18F substituted thiamine as well as synthesis method and application of radioisotope 18F substituted thiamine ZHONGSHAN HOSPITAL FUDAN UNIV 2015-11-25 CN disclosed
CN-101555547-B Passivant for inhibiting iron and aluminium impurity acid split leaching of phosphorite and operation method thereof UNIV SICHUAN 2010-12-01 CN disclosed
CN-1146561-C Pyrimidine derivatives having antitumor activity 盐野义制药株式会社 2004-04-21 CN disclosed
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
CN-1317003-A Pyrimidine derivatives having antitumor activity SHIONOGI & CO (JP) 2001-10-10 CN disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed
US-3954756-A Method for producing pyrimidine TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-05-04 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 (1 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-20180237358-A1 RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF SLC19A2, SLC35E1, SLC46A1 LMNA 2934/4885TKT 15/4885KDM4E 1880/4885

“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.