SCHEMBL1758587

SCHEMBL1758587

N#Cc1ccc(-c2nc3ccccc3c(Nc3ccncc3)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 1/20 0.46
ACP1 P24666 2/20 0.44
KDM1A O60341 3/20 0.44
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
LRRK2 Q5S007 1/20 0.42
TGFBR1 P36897 1/20 0.41
MAPK10 P53779 1/20 0.41
CSF1R P07333 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL1758573 0.88 MAPK14 (0.52) USP2CYP1A2CYP3A4HPGDCASP1
SCHEMBL1758171 0.88 KDM1A (0.50) USP2CYP1A2CYP3A4HPGDABCG2
SCHEMBL1758211 0.87 MAPK14 (0.56) USP2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL1758075 0.84 LMNA (0.47) USP2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL1758186 0.84 ABCG2 (0.51) CYP1A2CYP3A4HPGDABCG2ACP1
SCHEMBL12646744 0.84 KDM1A (0.44) USP2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL1758206 0.82 KMT2A (0.60) USP2CYP1A2CYP3A4HPGDCASP1
SCHEMBL1758319 0.81 RAF1 (0.41) USP2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL1758114 0.81 KDM1A (0.59) USP2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL1757893 0.81 ACP1 (0.46) USP2CYP1A2CYP3A4CYP2C9HPGD

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 14 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

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 USP2 3682/4885CYP1A2 2019/4885CYP3A4 1463/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 USP2 3682/4885CYP1A2 2019/4885CYP3A4 1463/4885

“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.