SCHEMBL4868465

SCHEMBL4868465

Sc1nc(-c2ccncn2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
ALPL P05186 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LATS1 O95835 1/20 0.33
DCLK1 O15075 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL11310435 0.80 SMN1; SMN2 (0.61) L3MBTL1NPC1ALPLPKMALOX15
SCHEMBL12282958 0.79 HSP90AA1 (0.41) L3MBTL1NPC1ALPLPKMALOX15
SCHEMBL11312867 0.76 L3MBTL1 (0.53) L3MBTL1NPC1ALPLPKMALOX15
SCHEMBL4865340 0.73 JAK2 (0.49) L3MBTL1KDM4EMAPT
SCHEMBL25295479 0.69 TP53 (0.48) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL5989213 0.69 HSP90AA1 (0.44) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL29430257 0.69 TP53 (0.48) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL12283070 0.68 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HSD17B10EGFR
SCHEMBL30595872 0.68 HSP90AA1 (0.52) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL2814353 0.68 HSP90AA1 (0.52) MAPK14MAPK9MAPK13RAF1MAPK12

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-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 L3MBTL1 1656/4885NPC1 2130/4885ALPL 1617/4885

“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.