SCHEMBL1758150

SCHEMBL1758150

Fc1c(-c2ccccc2C(F)(F)F)nc2ccccc2c1Nc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.61
CYP2D6 P10635 10/20 0.61
CYP2C19 P33261 9/20 0.61
CYP3A4 P08684 9/20 0.61
LMNA P02545 5/20 0.61
HSD17B10 Q99714 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP2C9 P11712 3/20 0.61
TSHR P16473 3/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ACP1 P24666 2/20 0.49
USP1 O94782 3/20 0.43
WDR48 Q8TAF3 3/20 0.43
RECQL P46063 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL14308497 0.85 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1757960 0.85 KDM1A (0.46) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL12646710 0.83 KDM1A (0.44) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1758746 0.83 KMT2A (0.57) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1758190 0.83 ALDH1A1 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1758511 0.83 KDM1A (0.44) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL14318913 0.81 KDM1A (0.42) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1758573 0.81 MAPK14 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1758171 0.81 KDM1A (0.50) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1757982 0.80 ALDH1A1 (0.63) CYP1A2CYP2D6CYP2C19CYP3A4LMNA

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 13 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

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 CYP1A2 2019/4885CYP2D6 1896/4885CYP2C19 2025/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 CYP1A2 2019/4885CYP2D6 1896/4885CYP2C19 2025/4885

“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.