SCHEMBL1758573

SCHEMBL1758573

Fc1c(-c2ccccc2)nc2ccccc2c1Nc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
TGFBR1 P36897 2/20 0.52
KDM1A O60341 5/20 0.50
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PDE5A O76074 1/20 0.46
KMT2A Q03164 3/20 0.46
RAD52 P43351 2/20 0.46
MAPK10 P53779 1/20 0.45
MAPK1 P28482 5/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C19 P33261 4/20 0.45
MAPT P10636 4/20 0.45
CYP2D6 P10635 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 4/20 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
SCHEMBL1758171 0.97 KDM1A (0.50) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758211 0.93 MAPK14 (0.56) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758075 0.91 LMNA (0.47) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758186 0.91 ABCG2 (0.51) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL12646744 0.91 KDM1A (0.44) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758167 0.90 HPGD (0.51) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758206 0.89 KMT2A (0.60) KDM1AHPGDKDM4EPOLBALDH1A1
SCHEMBL12646708 0.89 MEN1 (0.50) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1757896 0.88 TGFBR1 (0.44) MAPK14TGFBR1KDM1AHPGDKDM4E
SCHEMBL1758421 0.88 TGFBR1 (0.60) MAPK14TGFBR1KDM1AHPGDKDM4E

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 17 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
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 MAPK14 4102/4885TGFBR1 1/4885KDM1A 1568/4885
US-20050032835-A1 Compositions and methods for inhibiting TGF-beta TGFBR1, TGFB1, TGFBR2 MAPK14 4102/4885TGFBR1 1/4885KDM1A 1568/4885

“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.