SCHEMBL23976317

SCHEMBL23976317

O=C(CNc1nc(Cl)nc2c1CCC2)NC1(C(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
AGTR2 P50052 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
USP2 O75604 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
SCHEMBL23976316 0.78 CFTR (0.42) AGTR2
SCHEMBL30225183 0.77 MEN1 (0.41) ACHECYP1A2GAAAGTR2KDM4E
SCHEMBL23975703 0.77 MEN1 (0.41) ACHECYP1A2GAAAGTR2KDM4E
SCHEMBL30225313 0.77 CYP1A2 (0.33) CYP1A2GAAKDM4EMAPTUSP2
SCHEMBL27209478 0.77 CYP1A2 (0.33) CYP1A2GAAKDM4EMAPTUSP2
SCHEMBL23975711 0.75 USP2 (0.39) ACHECYP1A2GAAAGTR2KDM4E
SCHEMBL30225281 0.69 TDP1 (0.47) CYP1A2GAAMAPTTP53
SCHEMBL23976163 0.69 TDP1 (0.47) CYP1A2GAAMAPTTP53
SCHEMBL6419623 0.65 ACHE (0.47) ACHE
SCHEMBL23975689 0.64 LATS1 (0.40) ACHECYP1A2GAAKDM4EMAPT

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL 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 ACHE 4830/4885CYP1A2 1279/4885GAA 634/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ACHE 4876/4885CYP1A2 1830/4885GAA 1395/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI ACHE 4876/4885CYP1A2 1830/4885GAA 1395/4885

“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.