SCHEMBL17840872

SCHEMBL17840872

CCOc1cnc2c(-c3ccc(OC)cn3)c(-c3ccnc(NC(C)=O)c3)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.76
TGFBR2 P37173 8/20 0.67
BUB1 O43683 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PIK3C3 Q8NEB9 3/20 0.40
AAK1 Q2M2I8 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
SCHEMBL17840736 0.94 TGFBR1 (0.82) TGFBR1TGFBR2BUB1ADORA3PIK3C3
SCHEMBL17840577 0.91 TGFBR1 (0.73) TGFBR1TGFBR2BUB1TLR9TLR8
SCHEMBL17863776 0.91 TGFBR1 (0.71) TGFBR1TGFBR2BUB1TLR9TLR8
SCHEMBL17840737 0.89 TGFBR1 (0.81) TGFBR1TGFBR2BUB1ADORA3PIK3C3
SCHEMBL17840857 0.89 TGFBR1 (0.67) TGFBR1TGFBR2BUB1TLR9TLR8
SCHEMBL17840930 0.89 TGFBR1 (0.78) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840624 0.89 TGFBR1 (0.78) TGFBR1TGFBR2BUB1PIK3C3
SCHEMBL17840902 0.89 TGFBR1 (0.78) TGFBR1TGFBR2BUB1ADORA3PIK3C3
SCHEMBL17840705 0.88 TGFBR1 (0.77) TGFBR1TGFBR2BUB1ADORA3PIK3C3
SCHEMBL17840775 0.88 TGFBR1 (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885BUB1 341/4885

“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.