SCHEMBL17840669

SCHEMBL17840669

COc1ccnc2c(-c3nc(C(F)F)cs3)c(-c3ccnc(NC(C)=O)c3)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.52
TGFBR2 P37173 8/20 0.52
AAK1 Q2M2I8 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK14 Q16539 5/20 0.38
GSK3B P49841 2/20 0.38
BUB1 O43683 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL17840682 0.89 TGFBR1 (0.54) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840855 0.88 TGFBR1 (0.49) TGFBR1TGFBR2AAK1CYP3A4MAPK14
SCHEMBL17840816 0.85 TGFBR1 (0.73) TGFBR1TGFBR2AAK1CYP3A4
SCHEMBL17840795 0.83 TGFBR1 (0.73) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840701 0.83 TGFBR1 (0.56) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840860 0.80 TGFBR1 (0.57) TGFBR1TGFBR2MAPK14GSK3BPIK3C3
SCHEMBL17840807 0.80 TGFBR1 (0.50) TGFBR1TGFBR2AAK1MAPK14GSK3B
SCHEMBL17840593 0.78 TGFBR1 (0.57) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840538 0.78 TGFBR1 (0.69) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840581 0.77 TGFBR1 (0.71) 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 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 1/4885AAK1 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.