SCHEMBL17840874

SCHEMBL17840874

COc1ccc(-c2c(-c3ccnc(NC(=O)CCl)c3)[nH]c3cc(Cl)cnc23)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.64
TGFBR2 P37173 8/20 0.57
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK14 Q16539 2/20 0.38
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
BUB1 O43683 1/20 0.37
RIOK2 Q9BVS4 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
SCHEMBL17840930 0.90 TGFBR1 (0.78) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17840767 0.90 TGFBR1 (0.67) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17840617 0.87 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1GSK3B
SCHEMBL17840955 0.87 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1SMN1; SMN2GSK3B
SCHEMBL17840854 0.86 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14
SCHEMBL17840810 0.86 TGFBR1 (0.51) TGFBR1TGFBR2MAPK14AAK1
SCHEMBL17840820 0.86 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1L3MBTL1GSK3B
SCHEMBL17840954 0.86 TGFBR1 (0.56) TGFBR1TGFBR2ALDH1A1BUB1
SCHEMBL17840639 0.84 TGFBR1 (0.59) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17840570 0.84 TGFBR1 (0.64) TGFBR1TGFBR2MAPK14AAK1ALDH1A1

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 1/4885GRIN2D 3465/4885

“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.