SCHEMBL23296125

SCHEMBL23296125

NCc1cn(-c2ccc(-n3ccc(=O)[nH]c3=O)cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.57
CA2 P00918 8/20 0.57
CA9 Q16790 8/20 0.57
CA4 P22748 2/20 0.57
NOTUM Q6P988 7/20 0.54
MAOA P21397 4/20 0.54
CA12 O43570 6/20 0.53
MAOB P27338 2/20 0.53
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL23296124 0.83 CA1 (0.51) CA1CA2CA9CA4NOTUM
SCHEMBL23296155 0.80 MIF (0.49) CA1CA2CA9CA4NOTUM
SCHEMBL23296174 0.74 MIF (0.48) CA1CA2CA9CA4DDB1
SCHEMBL23329310 0.74 CA1 (0.63) CA1CA2CA9CA4NOTUM
SCHEMBL3091122 0.73 MIF (0.53) CA1CA2CA9CA4NOTUM
SCHEMBL17076798 0.73 NOTUM (0.71) CA1CA2CA9NOTUMMAOA
SCHEMBL27051679 0.71 NOTUM (0.70) CA1CA2CA9NOTUMMAOA
SCHEMBL14562 0.71 MAOA (0.51) CA1CA2CA9CA4NOTUM
SCHEMBL16401577 0.71 NOTUM (1.00) CA1CA2CA9NOTUMMAOA
SCHEMBL23296119 0.70 PTGS2 (0.41) CA1CA2CA9CA4NOTUM

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-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 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 (2 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-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE TMSB10, TMSB4X, TBCA CA1 4427/4885CA2 4260/4885CA9 4127/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA CA1 4117/4885CA2 3933/4885CA9 3701/4885

“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.