SCHEMBL823913

SCHEMBL823913

CC(C)(C)OCCn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 6/20 0.43
TP53 P04637 2/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL21784331 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL23179030 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL824798 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL1161082 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL10721461 0.74 EGLN3 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL738419 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL3371124 0.71 EGLN3 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL7615342 0.71 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL13017117 0.71 EGLN3 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL4380860 0.70 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4ETP53

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-8415338-B2 Oxygen linked pyrimidine derivatives CELL THERAPEUTICS, INC. (US) 2013-04-09 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 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 (9 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALDH1A1 607/4885SMN1; SMN2 4299/4885MAPT 3852/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 ALDH1A1 3678/4885SMN1; SMN2 2766/4885MAPT 2390/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 ALDH1A1 918/4885SMN1; SMN2 1602/4885MAPT 4261/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 ALDH1A1 1035/4885SMN1; SMN2 2852/4885MAPT 3394/4885
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD ALDH1A1 1818/4885SMN1; SMN2 4353/4885MAPT 4088/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD ALDH1A1 1818/4885SMN1; SMN2 4353/4885MAPT 4088/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ALDH1A1 1674/4885SMN1; SMN2 2512/4885MAPT 4441/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 ALDH1A1 1035/4885SMN1; SMN2 2852/4885MAPT 3394/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 ALDH1A1 1035/4885SMN1; SMN2 2852/4885MAPT 3394/4885

“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.