SCHEMBL5048878

SCHEMBL5048878

Nc1ccc2nc(-c3ccncc3)cc(N)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
EPRS1 P07814 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PIK3CB P42338 1/20 0.43
DHODH Q02127 1/20 0.42
LATS1 O95835 3/20 0.41
LATS2 Q9NRM7 3/20 0.41
SLC2A1 P11166 1/20 0.41
IMPDH2 P12268 1/20 0.40

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
SCHEMBL5045730 0.87 ACHE (0.53) ACHEMAPTALDH1A1KDM4EMEN1
SCHEMBL4824379 0.86 ACHE (0.71) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL4824891 0.82 ACHE (0.51) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL5349212 0.82 ACHE (0.51) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL4830606 0.82 ACHE (0.51) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL4824929 0.82 EPRS1 (0.68) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL24505991 0.81 ACHE (0.80) ACHEMAPTALDH1A1KDM4EMEN1
SCHEMBL4824378 0.78 KDM4E (0.54) ACHEEPRS1MAPTALDH1A1KDM4E
SCHEMBL29650635 0.78 LATS1 (0.56) ACHELATS1LATS2
SCHEMBL4823657 0.75 ACHE (0.51) ACHEEPRS1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314939-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-10 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-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 ACHE 1609/4885EPRS1 1837/4885MAPT 2637/4885

“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.