SCHEMBL1758087

SCHEMBL1758087

COc1cccc(-c2nc3ccccc3c(Nc3ccncc3)c2F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
TP53 P04637 1/20 0.63
CYP2D6 P10635 1/20 0.63
HPGD P15428 1/20 0.63
CASP1 P29466 1/20 0.63
CYP2C19 P33261 1/20 0.63
CASP7 P55210 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ABCG2 Q9UNQ0 8/20 0.52
ABCB1 P08183 5/20 0.52
ADORA2A P29274 2/20 0.51
ACP1 P24666 1/20 0.51
KDM1A O60341 3/20 0.50

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
SCHEMBL1758206 0.87 KMT2A (0.60) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758167 0.86 HPGD (0.51) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758573 0.86 MAPK14 (0.52) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL12646708 0.85 MEN1 (0.50) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1757896 0.84 TGFBR1 (0.44) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758421 0.84 TGFBR1 (0.60) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758099 0.84 TGFBR1 (0.47) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1757893 0.84 ACP1 (0.46) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758171 0.83 KDM1A (0.50) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1758211 0.80 MAPK14 (0.56) KMT2AMEN1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633718-B1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARM INC (US) 2012-06-06 EP claimed
US-7943640-B2 3-Fluoro-2-(2-methylsulfanyl-phenyl)-quinolin-4-yl]-pyridin-4-yl-amine; modulating transforming growth factor (TGF) - beta; fibroproliferative diseases or diseases associated with fibrosis; cardiovascular, urogenital and gastrointestinal disorders; antihypotensive, -arthritic agents; angioplasty MILLENIUM PHARMACEUTICALS, INC. (US) 2011-05-17 US claimed
EP-1633718-A4 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARM INC (US) 2008-11-19 EP claimed
US-20080108656-A1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-BETA MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-08 US claimed
US-7314939-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US claimed
EP-1633718-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-03-15 EP claimed
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-10 US claimed
WO-2004112710-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-ß MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
EP-1633718-B1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARM INC (US) 2012-06-06 EP disclosed
US-7943640-B2 3-Fluoro-2-(2-methylsulfanyl-phenyl)-quinolin-4-yl]-pyridin-4-yl-amine; modulating transforming growth factor (TGF) - beta; fibroproliferative diseases or diseases associated with fibrosis; cardiovascular, urogenital and gastrointestinal disorders; antihypotensive, -arthritic agents; angioplasty MILLENIUM PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20080108656-A1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-BETA MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-08 US disclosed
US-7314939-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 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-20080108656-A1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-BETA TGFBR1, TGFB1, TGFBR2 KMT2A 4089/4885MEN1 977/4885KDM4E 1600/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 KMT2A 4089/4885MEN1 977/4885KDM4E 1600/4885

“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.