SCHEMBL1758201

SCHEMBL1758201

Fc1cccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.45
ADORA2A P29274 1/20 0.44
KMT2A Q03164 2/20 0.43
KDR P35968 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
TACR3 P29371 1/20 0.39
PDE5A O76074 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL1758167 0.85 HPGD (0.51) ABCG2ADORA2AKMT2AALDH1A1LMNA
SCHEMBL1757994 0.80 KMT2A (0.39) ABCG2KMT2AALDH1A1LMNAPOLB
SCHEMBL1758421 0.79 TGFBR1 (0.60) ABCG2ADORA2AKMT2AALDH1A1LMNA
SCHEMBL1758140 0.78 ALDH1A1 (0.38) KMT2AALDH1A1LMNAPOLBHPGD
SCHEMBL12646708 0.75 MEN1 (0.50) ABCG2ADORA2AKMT2AALDH1A1LMNA
SCHEMBL1758573 0.75 MAPK14 (0.52) ABCG2KMT2AALDH1A1LMNAPOLB
SCHEMBL1758099 0.74 TGFBR1 (0.47) ABCG2ADORA2AKMT2AALDH1A1LMNA
SCHEMBL1757896 0.74 TGFBR1 (0.44) ABCG2KMT2AALDH1A1LMNAPOLB
SCHEMBL1758087 0.72 KMT2A (0.63) ABCG2ADORA2AKMT2ALMNAPOLB
SCHEMBL1758171 0.72 KDM1A (0.50) ABCG2KMT2AALDH1A1LMNAPOLB

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 16 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
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-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
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 (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 ABCG2 507/4885ADORA2A 795/4885KMT2A 4089/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 ABCG2 507/4885ADORA2A 795/4885KMT2A 4089/4885

“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.