SCHEMBL23976267

SCHEMBL23976267

CC(C)(C)OC(=O)NCC(=O)Nc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 2/20 0.50
TP53 P04637 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL3146288 0.87 GAA (0.54) GAANPC1RAB9APKMTP53
SCHEMBL29695306 0.84 NPC1 (0.58) GAANPC1RAB9APKMTP53
SCHEMBL222110 0.84 NPC1 (0.58) GAANPC1RAB9APKMTP53
Bromide SCHEMBL27496198 0.83 NPC1 (0.56) GAANPC1RAB9APKMTP53
Acetic Acid SCHEMBL28000447 0.80 RAB9A (0.53) GAANPC1RAB9APKMTP53
SCHEMBL6174559 0.80 BCHE (0.54) GAACYP1A2SMN1; SMN2HTTPOLB
Propionic Acid SCHEMBL28871102 0.80 GAA (0.50) GAANPC1RAB9APKMTP53
SCHEMBL1307345 0.79 DRD2 (0.55) GAAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6615646 0.79 RAB9A (0.53) GAANPC1RAB9AALDH1A1KMT2A
SCHEMBL22306005 0.79 AURKB (0.46) NPC1RAB9AHDAC3HDAC1HDAC10

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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
EP-4142732-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
EP-4143178-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 US disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO 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 GAA 634/4885NPC1 897/4885RAB9A 2710/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI GAA 1395/4885NPC1 389/4885RAB9A 2831/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI GAA 1395/4885NPC1 389/4885RAB9A 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.