SCHEMBL4865829

SCHEMBL4865829

CC(C)n1nc(-c2ccncc2)nc1SCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
POLB P06746 3/20 0.48
BLM P54132 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GBA1 P04062 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8320877 0.75 POLB (0.57) TACR1POLBMAPTMEN1KMT2A
SCHEMBL4872760 0.73 TACR1 (0.56) TACR1L3MBTL1ALDH1A1GAAPOLB
SCHEMBL4872235 0.72 MEN1 (0.67) TACR1L3MBTL1ALDH1A1POLBMAPT
SCHEMBL4872272 0.71 TACR1 (0.54) TACR1L3MBTL1ALDH1A1POLBMAPT
SCHEMBL4874741 0.70 MAPT (0.81) L3MBTL1ALDH1A1POLBMAPTMEN1
SCHEMBL4864377 0.70 PKM (0.76) TACR1L3MBTL1ALDH1A1GAAPOLB
SCHEMBL6405958 0.69 KMT2A (0.71) TACR1CTDSP1L3MBTL1ALDH1A1GAA
SCHEMBL14027531 0.69 POLB (0.77) L3MBTL1ALDH1A1POLBMAPTMEN1
SCHEMBL14195576 0.68 ROCK2 (0.58) GAAPOLBMAPTMEN1KMT2A
SCHEMBL4212345 0.67 TSHR (0.72) TACR1L3MBTL1ALDH1A1GAAPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US claimed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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 (1 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 TACR1 3454/4885CTDSP1 1747/4885L3MBTL1 1656/4885

“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.