SCHEMBL23975923

SCHEMBL23975923

CCOC(=O)CN(C)c1nc(-c2cc(OCC(C)(C)O)ccn2)nc2c1CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
C5AR1 P21730 1/20 0.32
SPR P35270 1/20 0.32
ACHE P22303 4/20 0.32
ABCB1 P08183 2/20 0.32
TUBB3 Q13509 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL30225140 1.00 HDAC1 (0.34) HDAC1HDAC8HDAC6HSD17B10MAPT
SCHEMBL23976900 0.93 HDAC1 (0.33) HDAC1HDAC8HDAC6HSD17B10MAPT
SCHEMBL30225330 0.90 SPR (0.36) HDAC1HDAC8HDAC6MAPTTP53
SCHEMBL23975930 0.90 SPR (0.36) HDAC1HDAC8HDAC6MAPTTP53
SCHEMBL23975852 0.89 ABCB1 (0.39) HDAC1HDAC8HDAC6MAPTTP53
SCHEMBL30225179 0.89 ABCB1 (0.39) HDAC1HDAC8HDAC6MAPTTP53
SCHEMBL23976413 0.89 HDAC1 (0.33) HDAC1HDAC8HDAC6C5AR1SPR
Lithium Ion SCHEMBL30118814 0.88 HDAC1 (0.33) HDAC1HDAC8HDAC6C5AR1SPR
SCHEMBL23976092 0.87 HDAC1 (0.35) HDAC1HDAC8HDAC6C5AR1SPR
SCHEMBL23976499 0.86 MEN1 (0.36) HDAC1HDAC8HDAC6C5AR1SPR

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 7 patents. 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-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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 US disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO 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 (3 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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 HDAC1 4619/4885HDAC8 4526/4885HDAC6 4500/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI HDAC1 4175/4885HDAC8 4257/4885HDAC6 4235/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI HDAC1 4175/4885HDAC8 4257/4885HDAC6 4235/4885

“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.