SCHEMBL17840766

SCHEMBL17840766

CCOc1cccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(Cl)cnc23)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.62
TGFBR2 P37173 8/20 0.62
MAPK8 P45983 1/20 0.45
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
BUB1 O43683 4/20 0.39
PIK3C3 Q8NEB9 3/20 0.39

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
SCHEMBL17840629 0.91 TGFBR1 (0.64) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840841 0.89 TGFBR1 (0.61) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840817 0.88 TGFBR1 (0.68) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840658 0.87 TGFBR1 (0.78) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840659 0.86 TGFBR1 (0.64) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840636 0.86 TGFBR1 (0.66) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840857 0.85 TGFBR1 (0.67) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840922 0.85 TGFBR1 (0.65) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840844 0.84 TGFBR1 (0.67) TGFBR1TGFBR2TLR8TLR7BUB1
SCHEMBL17840713 0.84 TGFBR1 (0.61) TGFBR1TGFBR2BUB1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 EP disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 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-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 TGFBR1 2/4885TGFBR2 1/4885MAPK8 1690/4885

“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.