SCHEMBL17840797

SCHEMBL17840797

CCOc1cnc2c(-c3cccc(C(F)F)n3)c(-c3ccnc(NC(C)=O)c3)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.73
TGFBR2 P37173 13/20 0.73
BUB1 O43683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL17840951 0.92 TGFBR1 (0.76) TGFBR1TGFBR2
SCHEMBL17840663 0.91 TGFBR1 (0.73) TGFBR1TGFBR2BUB1
SCHEMBL17881790 0.90 TGFBR1 (0.70) TGFBR1TGFBR2BUB1AAK1
SCHEMBL17840770 0.90 TGFBR1 (0.72) TGFBR1TGFBR2BUB1
SCHEMBL17863780 0.89 TGFBR1 (0.69) TGFBR1TGFBR2BUB1AAK1
SCHEMBL17840656 0.88 TGFBR1 (0.79) TGFBR1TGFBR2
SCHEMBL17840960 0.87 TGFBR1 (0.71) TGFBR1TGFBR2BUB1
SCHEMBL17840554 0.87 TGFBR1 (0.78) TGFBR1TGFBR2GSK3BMAPK14
SCHEMBL17840888 0.85 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14
SCHEMBL17840668 0.84 TGFBR1 (0.71) TGFBR1TGFBR2BUB1AAK1

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 13 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 claimed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US claimed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO claimed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US claimed
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 1/4885BUB1 341/4885

“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.