SCHEMBL3899580

SCHEMBL3899580

Cc1ccncc1-c1nc(C)c(C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.44
CYP11B2 P19099 9/20 0.44
MAP4K1 Q92918 1/20 0.39
PTGS2 P35354 2/20 0.39
ABL1 P00519 2/20 0.39
PDE10A Q9Y233 4/20 0.38
PDE2A O00408 2/20 0.38
DHODH Q02127 1/20 0.36

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
SCHEMBL3900693 0.75 CYP2A6 (0.51) CYP11B1CYP11B2
SCHEMBL3904414 0.71 ALDH1A1 (0.32)
SCHEMBL30546874 0.71 CYP2A6 (0.46) CYP11B1CYP11B2MAP4K1PTGS2PDE10A
SCHEMBL29988790 0.71 TDO2 (0.49) CYP11B1CYP11B2PTGS2ABL1
SCHEMBL3421743 0.71 TDO2 (0.49) CYP11B1CYP11B2PTGS2ABL1
SCHEMBL19937167 0.70 MBNL1 (0.51) PDE10A
SCHEMBL26104342 0.69 CYP17A1 (0.48) PDE10A
SCHEMBL16385407 0.69 CYP11B1 (0.54) CYP11B1CYP11B2ABL1DHODH
SCHEMBL30494306 0.69 CYP11B1 (0.54) CYP11B1CYP11B2MAP4K1PTGS2ABL1
SCHEMBL30494380 0.69 CYP11B1 (0.54) CYP11B1CYP11B2ABL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 CYP11B1 590/4885CYP11B2 759/4885MAP4K1 2596/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 CYP11B1 636/4885CYP11B2 799/4885MAP4K1 3546/4885

“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.