SCHEMBL1758166

SCHEMBL1758166

Fc1ccccc1-c1nc2ccccc2c(I)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.55
MBNL1 Q9NR56 1/20 0.47
C1R P00736 1/20 0.45
TGFBR1 P36897 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
GBA1 P04062 2/20 0.40
TACR3 P29371 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 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
SCHEMBL1758144 0.80 ADORA2A (0.55) ADORA2AMBNL1C1RTGFBR1MAPT
SCHEMBL2126776 0.77 ADORA2A (0.55) ADORA2AMBNL1C1RMAPTGBA1
SCHEMBL17363620 0.76 MBNL1 (0.61) ADORA2AMBNL1C1RTGFBR1MAPT
SCHEMBL13063652 0.75 ADORA2A (0.57) ADORA2AMBNL1C1RMAPTGBA1
SCHEMBL6335549 0.71 ADORA2A (0.66) ADORA2AMBNL1C1RTGFBR1MAPT
SCHEMBL3772243 0.71 ADORA2A (0.66) ADORA2AMBNL1C1RTGFBR1MAPT
SCHEMBL30462943 0.71 MBNL1 (0.66) ADORA2AMBNL1C1RTGFBR1MAPT
SCHEMBL1757960 0.71 KDM1A (0.46) ADORA2ATGFBR1MAPTPOLBMAPK1
SCHEMBL2123544 0.71 ADORA2A (0.53) ADORA2AMBNL1C1RMAPTTACR3
SCHEMBL2123690 0.71 ADORA2A (0.53) ADORA2AMBNL1C1RTACR3MEN1

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 15 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 disclosed
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-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-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
EP-1633718-A4 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARM INC (US) 2008-11-19 EP disclosed
US-20080108656-A1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-BETA MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-08 US disclosed
US-20080108656-A1 COMPOSITIONS AND METHODS FOR INHIBITING TGF-BETA MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-08 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
US-7314939-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314939-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
EP-1633718-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-s MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-03-15 EP disclosed
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
WO-2004112710-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-ß MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-12-29 WO 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 ADORA2A 795/4885MBNL1 2299/4885C1R 876/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 ADORA2A 795/4885MBNL1 2299/4885C1R 876/4885

“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.