SCHEMBL24702152

SCHEMBL24702152

COC(=O)C(C(C)C)N(C)c1nc(C)nc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 5/20 0.45
ABCB1 P08183 2/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP7 P55210 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
NR4A1 P22736 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 2/20 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
SCHEMBL30225255 0.86 NPSR1 (0.37) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL23975951 0.86 NPSR1 (0.37) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL23975952 0.78 PDE10A (0.40) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL30225210 0.78 PDE10A (0.40) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL23976302 0.73 NPSR1 (0.39) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL24702215 0.69 TUBB3 (0.47) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18158241 0.69 TUBB3 (0.66) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18158233 0.69 TUBB3 (0.66) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL23975781 0.69 NPSR1 (0.38) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL23975784 0.69 NPSR1 (0.38) NPSR1TSHRMEN1KMT2APOLB

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 2 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-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 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-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI TUBB3 4311/4885ABCB1 264/4885HDAC1 4175/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI TUBB3 4311/4885ABCB1 264/4885HDAC1 4175/4885

“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.