SCHEMBL17840926

SCHEMBL17840926

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(N4CCC(NC(C)=O)CC4)cnc23)nc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.65
TGFBR2 P37173 8/20 0.58
PIK3C3 Q8NEB9 2/20 0.39
CDK1 P06493 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
CDK3 Q00526 3/20 0.39
CDK5 Q00535 3/20 0.39
CCNT1 O60563 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CCNA1 P78396 2/20 0.39
CDK5R1 Q15078 2/20 0.39
BUB1 O43683 3/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL17840711 0.92 TGFBR1 (0.67) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840905 0.91 TGFBR1 (0.65) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840618 0.91 TGFBR1 (0.71) TGFBR1TGFBR2PIK3C3BUB1
SCHEMBL17863784 0.90 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3CDK9CCNT1
SCHEMBL17840799 0.89 TGFBR1 (0.65) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840868 0.89 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3
SCHEMBL17865338 0.87 TGFBR1 (0.59) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840833 0.87 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840831 0.87 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3BUB1TLR9
SCHEMBL17840736 0.84 TGFBR1 (0.82) TGFBR1TGFBR2PIK3C3BUB1

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 5 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
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

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 1/4885PIK3C3 2608/4885

“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.