SCHEMBL23975941

SCHEMBL23975941

CNCc1ncn(-c2cccc(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NOTUM Q6P988 1/20 0.40
RXRA P19793 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2B Q13224 6/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ALK Q9UM73 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL30225246 1.00 KEAP1 (0.44) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL23976857 0.84 KEAP1 (0.47) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL24702070 0.81 KEAP1 (0.45) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL26229520 0.81 KEAP1 (0.45) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL23975938 0.81 KEAP1 (0.47) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL30225224 0.81 NOTUM (0.52) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL23975942 0.81 NOTUM (0.52) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL21863282 0.75 KEAP1 (0.47) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL18278660 0.72 KEAP1 (0.47) KEAP1NOTUMRXRAGRIN1GRIN2B
SCHEMBL18278129 0.72 KEAP1 (0.47) KEAP1NOTUMRXRAGRIN1GRIN2B

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 6 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

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 KEAP1 135/4885NOTUM 4249/4885RXRA 3477/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI KEAP1 45/4885NOTUM 4393/4885RXRA 4397/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI KEAP1 45/4885NOTUM 4393/4885RXRA 4397/4885

“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.