SCHEMBL1757960

SCHEMBL1757960

Fc1ccccc1-c1nc2ccccc2c(Nc2ccncc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.46
ADORA2A P29274 1/20 0.46
CYP1A2 P05177 6/20 0.44
CYP3A4 P08684 6/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CLK4 Q9HAZ1 3/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 2/20 0.44
USP2 O75604 2/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1758746 0.87 KMT2A (0.57) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL1758190 0.87 ALDH1A1 (0.57) KDM1AADORA2ACYP1A2CYP3A4LMNA
SCHEMBL1758511 0.87 KDM1A (0.44) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL12646710 0.87 KDM1A (0.44) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL14308497 0.87 CYP1A2 (0.46) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL1758152 0.86 KMT2A (0.63) KDM1AADORA2ACYP1A2CYP3A4LMNA
SCHEMBL1758150 0.85 CYP1A2 (0.61) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL14318913 0.85 KDM1A (0.42) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL1758573 0.85 MAPK14 (0.52) KDM1ACYP1A2CYP3A4LMNAALDH1A1
SCHEMBL1758171 0.85 KDM1A (0.50) KDM1ACYP1A2CYP3A4LMNAALDH1A1

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 20 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
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
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
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 KDM1A 1568/4885ADORA2A 795/4885CYP1A2 2019/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 KDM1A 1568/4885ADORA2A 795/4885CYP1A2 2019/4885

“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.