SCHEMBL17840897

SCHEMBL17840897

COc1ccc(-c2c(-c3ccnc(N)c3)[nH]c3cc(OC)cnc23)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.54
DYRK1A Q13627 4/20 0.48
TGFBR2 P37173 4/20 0.47
GSK3B P49841 1/20 0.46
CDC7 O00311 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
MAPK14 Q16539 5/20 0.38
MET P08581 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17840693 0.92 TGFBR1 (0.52) TGFBR1DYRK1ATGFBR2GSK3BCDC7
SCHEMBL17840540 0.85 TGFBR1 (0.48) TGFBR1DYRK1ATGFBR2GSK3BCDC7
SCHEMBL19133566 0.84 TGFBR1 (0.62) TGFBR1TGFBR2MAPK13MAPK12MAPK11
SCHEMBL17840653 0.82 TGFBR1 (0.51) TGFBR1DYRK1ATGFBR2GSK3BCDC7
SCHEMBL17840666 0.80 TGFBR1 (0.70) TGFBR1TGFBR2
SCHEMBL17840736 0.80 TGFBR1 (0.82) TGFBR1TGFBR2
SCHEMBL17863767 0.77 TGFBR1 (0.49) TGFBR1DYRK1ATGFBR2NOS3NOS1
SCHEMBL17840737 0.77 TGFBR1 (0.81) TGFBR1TGFBR2
SCHEMBL17840708 0.76 DYRK1A (0.41) TGFBR1DYRK1ATGFBR2GSK3BCDC7
SCHEMBL17840570 0.76 TGFBR1 (0.64) TGFBR1TGFBR2GSK3BMAPK14TLR9

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 2/4885DYRK1A 947/4885TGFBR2 1/4885

“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.