SCHEMBL4714151

SCHEMBL4714151

Fc1ccccc1-c1nc(Cl)c2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 5/20 0.43
NT5E P21589 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
PTGFR P43088 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 2/20 0.41
HTT P42858 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 3/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL1622585 0.83 ALK (0.46) RXFP1KMT2AGAAMAPTPOLB
SCHEMBL1621274 0.82 THRB (0.52) RXFP1MAPK1SMN1; SMN2HTTTDP1
SCHEMBL4714364 0.82 MAPT (0.57) KMT2AMAPTPOLBMAPK1HIF1A
SCHEMBL3497699 0.80 HTT (0.49) RXFP1KMT2ANT5EMAPK1HTT
SCHEMBL1083824 0.80 CYP1A2 (0.50) RXFP1KMT2AMAPTPOLBMAPK1
SCHEMBL1084151 0.77 HIF1A (0.71) KMT2AMAPTMAPK1HIF1APTGFR
SCHEMBL1083817 0.76 HIF1A (0.73) KMT2AMAPTMAPK1HIF1AMEN1
SCHEMBL1083892 0.74 HIF1A (0.57) KMT2AMAPTPOLBMAPK1HIF1A
SCHEMBL4715753 0.72 TGFBR1 (0.44) MAPTHIF1APTGFR
SCHEMBL3459657 0.72 HTT (0.49) RXFP1KMT2AMAPTNT5EPOLB

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
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1603908-B1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARM INC (US) 2008-06-11 EP disclosed
EP-1603908-B1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARM INC (US) 2008-06-11 EP disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 US disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 US disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-1603908-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-14 EP disclosed
US-20040204431-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-10-14 US disclosed
WO-2004081009-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-09-23 WO 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-20040204431-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFBR2, TGFB2 RXFP1 824/4885KMT2A 2127/4885GAA 533/4885
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta TGFB1, TGFB2, TGFBR1 RXFP1 1487/4885KMT2A 2427/4885GAA 617/4885

“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.