SCHEMBL17840911

SCHEMBL17840911

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)n(COCC[Si](C)(C)C)c3c(C#N)cc(Br)nc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
TGFBR2 P37173 1/20 0.44
AAK1 Q2M2I8 2/20 0.38
CYP3A4 P08684 1/20 0.38
RIPK3 Q9Y572 2/20 0.37
MAPK14 Q16539 11/20 0.36
MAPK10 P53779 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL17863827 0.92 AAK1 (0.38) TGFBR1TGFBR2AAK1CYP3A4RIPK3
SCHEMBL17840621 0.89 TGFBR1 (0.44) TGFBR1TGFBR2MAPK14MAPK10PIK3C3
SCHEMBL17840906 0.86 AAK1 (0.39) AAK1CYP3A4RIPK3MAPK14MAPK10
SCHEMBL17840586 0.85 RIPK3 (0.37) AAK1CYP3A4RIPK3MAPK14MAPK10
SCHEMBL17840895 0.83 TGFBR1 (0.49) TGFBR1TGFBR2AAK1CYP3A4MAPK14
SCHEMBL17840687 0.81 TGFBR1 (0.48) TGFBR1TGFBR2AAK1CYP3A4MAPK14
SCHEMBL17840824 0.81 TGFBR1 (0.47) TGFBR1TGFBR2AAK1CYP3A4MAPK14
SCHEMBL17863829 0.81 MAPK14 (0.36) TGFBR1TGFBR2MAPK14MAPK10PIK3C3
SCHEMBL17840592 0.78 TGFBR1 (0.44) TGFBR1TGFBR2AAK1CYP3A4MAPK14
SCHEMBL17840758 0.75 TGFBR1 (0.63) TGFBR1TGFBR2AAK1CYP3A4MAPK14

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
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
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

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 1/4885AAK1 2658/4885

“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.