SCHEMBL30484199

SCHEMBL30484199

COc1ccnc(-c2nc3c(c(N(C)CC(N)=O)n2)CCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 3/20 0.38
ABCB1 P08183 2/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
SPR P35270 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
CFTR P13569 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 1/20 0.35
SYK P43405 1/20 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
SCHEMBL23975862 1.00 TUBB3 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975583 0.93 TUBB3 (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL30225209 0.91 SPR (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975838 0.91 SPR (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975592 0.91 SYK (0.38) TUBB3ABCB1SPRHDAC1HDAC8
SCHEMBL30118610 0.90 ABCB1 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23976283 0.90 ABCB1 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23976125 0.90 PARP1 (0.36) SPRHDAC1HDAC8HDAC6CFTR
SCHEMBL23976413 0.89 HDAC1 (0.33) TUBB3ABCB1SPRHDAC1HDAC8
SCHEMBL23975859 0.88 HDAC1 (0.39) TUBB3ABCB1CCR1CCR5CCR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US 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 (1 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 TUBB3 4251/4885ABCB1 378/4885CCR1 2110/4885

“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.