SCHEMBL17840581

SCHEMBL17840581

COc1ccnc2c(-c3cccc(C)n3)c(-c3ccnc(NC(C)=O)c3)[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.71
TGFBR2 P37173 9/20 0.71
MAPK14 Q16539 2/20 0.40
BUB1 O43683 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
GSK3B P49841 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
CYP3A4 P08684 1/20 0.39
AAK1 Q2M2I8 1/20 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
SCHEMBL17840593 0.90 TGFBR1 (0.57) TGFBR1TGFBR2MAPK14BUB1GSK3B
SCHEMBL17840816 0.88 TGFBR1 (0.73) TGFBR1TGFBR2ADORA3ADORA2AADORA2B
SCHEMBL17840675 0.85 TGFBR1 (0.74) TGFBR1TGFBR2MAPK14BUB1GSK3B
SCHEMBL17863804 0.85 TGFBR1 (0.69) TGFBR1TGFBR2BUB1GSK3BPIK3C3
SCHEMBL17840855 0.84 TGFBR1 (0.49) TGFBR1TGFBR2MAPK14BUB1GSK3B
SCHEMBL17840670 0.83 TGFBR1 (0.74) TGFBR1TGFBR2BUB1ADORA3PIK3C3
SCHEMBL17863805 0.83 TGFBR1 (0.63) TGFBR1TGFBR2GSK3BPIK3C3CYP3A4
SCHEMBL17840672 0.83 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14BUB1
SCHEMBL17840538 0.83 TGFBR1 (0.69) TGFBR1TGFBR2MAPK14BUB1GSK3B
SCHEMBL17840885 0.82 TGFBR1 (0.74) TGFBR1TGFBR2MAPK14BUB1ADORA3

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 1/4885MAPK14 2316/4885

“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.