SCHEMBL23976316

SCHEMBL23976316

O=C(CNc1nc(-c2ccccn2)nc2c1CCC2)NC1(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.42
TRPV1 Q8NER1 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
AGTR2 P50052 1/20 0.36
PDE4B Q07343 2/20 0.36
METAP1 P53582 3/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
METAP2 P50579 1/20 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
SCHEMBL25917192 0.82 CFTR (0.43) CFTRTRPV1TDP1PDE4BHTT
SCHEMBL23976377 0.81 CFTR (0.39) CFTRTRPV1TDP1AGTR2PDE4B
SCHEMBL30118771 0.81 PDE10A (0.42) CFTRTDP1METAP1METAP2
SCHEMBL23976240 0.81 PDE10A (0.42) CFTRTDP1METAP1METAP2
SCHEMBL23976252 0.81 PDE4B (0.47) CFTRTDP1PDE4BMETAP1HTT
SCHEMBL30225366 0.81 PDE4B (0.47) CFTRTDP1PDE4BMETAP1HTT
SCHEMBL30118572 0.81 NPC1 (0.44) CFTRTDP1PDE4BHTTKMT2A
SCHEMBL23976244 0.81 NPC1 (0.44) CFTRTDP1PDE4BHTTKMT2A
SCHEMBL30118845 0.80 GAA (0.46) CFTRTDP1KMT2ASMN1; SMN2ADORA3
SCHEMBL23976660 0.80 GAA (0.46) CFTRTDP1KMT2ASMN1; SMN2ADORA3

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-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 CFTR 1596/4885TRPV1 3691/4885TDP1 1304/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI CFTR 334/4885TRPV1 2541/4885TDP1 2891/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI CFTR 334/4885TRPV1 2541/4885TDP1 2891/4885

“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.