SCHEMBL5446178

SCHEMBL5446178

COc1cccc(/C=C/c2cnc(Nc3ccc(S(=O)(=O)CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.51
STS P08842 2/20 0.43
MAPT P10636 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
ALDH1A1 P00352 1/20 0.42
SLC2A1 P11166 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
SCHEMBL5446182 1.00 TGFBR1 (0.51) TGFBR1STSMAPTGPR119ALDH1A1
SCHEMBL5439140 0.90 NAMPT (0.50) TGFBR1STSMAPTGPR119ALDH1A1
SCHEMBL5439143 0.90 NAMPT (0.50) TGFBR1STSMAPTGPR119ALDH1A1
SCHEMBL3038682 0.84 SYK (0.50) TGFBR1GPR119
SCHEMBL14490276 0.82 NAMPT (0.47) TGFBR1STSMAPTGPR119ALDH1A1
SCHEMBL3042063 0.81 SYK (0.42) TGFBR1MAPTGPR119
SCHEMBL3042062 0.81 SYK (0.42) TGFBR1MAPTGPR119
SCHEMBL5442098 0.81 TGM2 (0.55) TGFBR1MAPTALDH1A1
SCHEMBL5442090 0.81 TGM2 (0.55) TGFBR1MAPTALDH1A1
SCHEMBL14490336 0.80 NAMPT (0.53) TGFBR1STSMAPTGPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 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 (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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR TGFBR1 2136/4885STS 1719/4885MAPT 3282/4885

“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.