SCHEMBL17840816

SCHEMBL17840816

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

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.73
TGFBR2 P37173 13/20 0.73
CYP3A4 P08684 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL17840668 0.92 TGFBR1 (0.71) TGFBR1TGFBR2AAK1
SCHEMBL17840680 0.89 TGFBR1 (0.76) TGFBR1TGFBR2AAK1
SCHEMBL17840593 0.89 TGFBR1 (0.57) TGFBR1TGFBR2
SCHEMBL17840710 0.89 TGFBR1 (0.76) TGFBR1TGFBR2
SCHEMBL17840920 0.88 TGFBR1 (0.75) TGFBR1TGFBR2
SCHEMBL17840581 0.88 TGFBR1 (0.71) TGFBR1TGFBR2CYP3A4AAK1ADORA3
SCHEMBL17840671 0.87 TGFBR1 (0.74) TGFBR1TGFBR2AAK1
SCHEMBL17840707 0.87 TGFBR1 (0.74) TGFBR1TGFBR2
SCHEMBL17840541 0.87 TGFBR1 (0.74) TGFBR1TGFBR2AAK1
SCHEMBL17840800 0.87 TGFBR1 (0.74) TGFBR1TGFBR2AAK1

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 1/4885CYP3A4 4824/4885

“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.