SCHEMBL23975591

SCHEMBL23975591

CC(C)(C)Cc1nc(-c2ccccc2)co1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.42
ENPP1 P22413 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.40
HSD11B1 P28845 3/20 0.39
S1PR1 P21453 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
NPPA P01160 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL9880273 0.80 S1PR1 (0.50) ENPP3ENPP1RAB9ASMN1; SMN2AKR1B1
SCHEMBL8334940 0.77 S1PR1 (0.53) ENPP3ENPP1RAB9ANPC1SMN1; SMN2
SCHEMBL4150532 0.77 ALDH1A1 (0.46) ENPP3ENPP1RAB9ASMN1; SMN2AKR1B1
SCHEMBL201772 0.77 AKR1B1 (0.43) ENPP3ENPP1RAB9ASMN1; SMN2AKR1B1
SCHEMBL28956300 0.77 NOTUM (0.46) ENPP3ENPP1RAB9AAKR1B1HSD11B1
SCHEMBL4142338 0.77 NOTUM (0.49) ENPP3ENPP1RAB9AAKR1B1HSD11B1
SCHEMBL6594295 0.77 AKR1B1 (0.49) ENPP3ENPP1RAB9AAKR1B1HSD11B1
SCHEMBL12064815 0.74 NPC1 (0.51) ENPP3ENPP1RAB9ANPC1SMN1; SMN2
SCHEMBL1272971 0.73 HSD11B1 (0.47) ENPP3ENPP1RAB9ANPC1SMN1; SMN2
SCHEMBL24702058 0.73 LMNA (0.37) RAB9ANPC1HTTSMN1; SMN2MEN1

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 ENPP3 349/4885ENPP1 208/4885RAB9A 2710/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885RAB9A 2831/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885RAB9A 2831/4885

“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.