SCHEMBL17840570

SCHEMBL17840570

COc1ccc(-c2c(-c3ccnc(NC(=O)CN(C)C)c3)[nH]c3cc(OC)cnc23)nc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.64
TGFBR2 P37173 8/20 0.57
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
BUB1 O43683 1/20 0.43
PARP1 P09874 2/20 0.40
AAK1 Q2M2I8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK10 P53779 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL17840627 0.88 TGFBR1 (0.58) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840736 0.87 TGFBR1 (0.82) TGFBR1TGFBR2BUB1
SCHEMBL17840666 0.87 TGFBR1 (0.70) TGFBR1TGFBR2BUB1AAK1
SCHEMBL17840913 0.86 TGFBR1 (0.60) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840874 0.84 TGFBR1 (0.64) TGFBR1TGFBR2BUB1AAK1ALDH1A1
SCHEMBL17840548 0.84 TGFBR1 (0.60) TGFBR1TGFBR2ALDH1A1GSK3B
SCHEMBL17840737 0.83 TGFBR1 (0.81) TGFBR1TGFBR2BUB1AAK1
SCHEMBL17840872 0.83 TGFBR1 (0.76) TGFBR1TGFBR2TLR9TLR8TLR7
SCHEMBL17840836 0.83 TGFBR1 (0.58) TGFBR1TGFBR2BUB1ALDH1A1L3MBTL1
SCHEMBL17840643 0.83 TGFBR1 (0.58) TGFBR1TGFBR2BUB1ALDH1A1L3MBTL1

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 7 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
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
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 1/4885TLR9 949/4885

“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.