SCHEMBL17840879

SCHEMBL17840879

COc1ccc(-c2c(-c3ccnc(NC(=O)CN4CC[C@H](O)C4)c3)[nH]c3cc(OC)cnc23)nc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.57
TGFBR2 P37173 6/20 0.51
GSK3B P49841 6/20 0.39
DYRK1A Q13627 6/20 0.39
WNT1 P04628 4/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CDC7 O00311 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
SCHEMBL17840548 0.88 TGFBR1 (0.60) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840836 0.86 TGFBR1 (0.58) TGFBR1TGFBR2GSK3BDYRK1AKDM4E
SCHEMBL17840643 0.86 TGFBR1 (0.58) TGFBR1TGFBR2GSK3BDYRK1AKDM4E
SCHEMBL17840617 0.82 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840955 0.82 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840820 0.82 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840570 0.81 TGFBR1 (0.64) TGFBR1TGFBR2GSK3BSMN1; SMN2TLR9
SCHEMBL17840954 0.81 TGFBR1 (0.56) TGFBR1TGFBR2KDM4E
SCHEMBL17840666 0.81 TGFBR1 (0.70) TGFBR1TGFBR2
SCHEMBL17840736 0.81 TGFBR1 (0.82) TGFBR1TGFBR2

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
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
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 1/4885GSK3B 33/4885

“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.