SCHEMBL17840895

SCHEMBL17840895

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)n(COCC[Si](C)(C)C)c3c(C(C)=O)ccnc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.49
TGFBR2 P37173 2/20 0.49
PIK3C3 Q8NEB9 9/20 0.40
MAPK14 Q16539 7/20 0.38
MAPK10 P53779 1/20 0.38
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 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
SCHEMBL17840687 0.93 TGFBR1 (0.48) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17863825 0.90 MAPK14 (0.38) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17840824 0.88 TGFBR1 (0.47) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17840621 0.86 TGFBR1 (0.44) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17840592 0.84 TGFBR1 (0.44) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17863830 0.83 MAPK14 (0.37) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17840911 0.83 TGFBR1 (0.44) TGFBR1TGFBR2PIK3C3MAPK14MAPK10
SCHEMBL17840633 0.81 TGFBR1 (0.52) TGFBR1TGFBR2MAPK14MAPK10
SCHEMBL25241528 0.79 MAPK14 (0.41) TGFBR1TGFBR2MAPK14MAPK10CYP3A4
SCHEMBL30387233 0.79 MAPK14 (0.41) TGFBR1TGFBR2MAPK14MAPK10CYP3A4

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 1/4885PIK3C3 2608/4885

“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.