SCHEMBL23976370

SCHEMBL23976370

CNCc1ncnn1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMO Q99835 1/20 0.36
NR3C2 P08235 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 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HPGDS O60760 1/20 0.35
EGLN2 Q96KS0 2/20 0.35

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
Hydrochloric Acid SCHEMBL30225321 0.99 MAPK14 (0.36) MAPK14IDO1TDO2TAAR1CYP17A1
SCHEMBL23975590 0.84 HPGDS (0.39) MAPK14IDO1TDO2CYP17A1CYP1A2
SCHEMBL3060399 0.81 NOTUM (0.46) MAPK14IDO1TDO2CYP3A4CYP2C9
SCHEMBL24702057 0.80 KEAP1 (0.38) MAPK14IDO1TDO2CYP17A1CYP1A2
SCHEMBL3066073 0.80 IDO1 (0.39) MAPK14IDO1TDO2CYP17A1CYP1A2
SCHEMBL25214197 0.78 IDO1 (0.38) IDO1TDO2NPC1RAB9AEGLN2
SCHEMBL23976369 0.77 GFER (0.46) SMOKDM4EHPGDS
SCHEMBL3059279 0.76 MAPK14 (0.44) MAPK14IDO1TDO2NR3C2KDM4E
SCHEMBL29866872 0.72 P2RX7 (0.39) P2RX7
SCHEMBL10771563 0.72 KEAP1 (0.40) MAPK14IDO1TDO2CYP17A1CYP1A2

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 MAPK14 3488/4885IDO1 1081/4885TDO2 825/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI MAPK14 3059/4885IDO1 342/4885TDO2 1731/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI MAPK14 3059/4885IDO1 342/4885TDO2 1731/4885

“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.