SCHEMBL17840780

SCHEMBL17840780

COc1cnc2c(-c3cccc(C)n3)c(-c3ccnc(NC(=O)CN4CCN(CCO)CC4)c3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.53
TGFBR2 P37173 7/20 0.53
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BUB1 O43683 1/20 0.39
HIF1A Q16665 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL17840605 0.90 TGFBR1 (0.55) TGFBR1TGFBR2KDM4EHPGDHSD17B10
SCHEMBL17840836 0.90 TGFBR1 (0.58) TGFBR1TGFBR2KDM4EHPGDHSD17B10
SCHEMBL17840954 0.85 TGFBR1 (0.56) TGFBR1TGFBR2KDM4EHPGDHSD17B10
SCHEMBL17840627 0.84 TGFBR1 (0.58) TGFBR1TGFBR2BUB1GSK3B
SCHEMBL17840885 0.84 TGFBR1 (0.74) TGFBR1TGFBR2BUB1GSK3BADORA1
SCHEMBL17840548 0.83 TGFBR1 (0.60) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17863801 0.79 TGFBR1 (0.54) TGFBR1TGFBR2KDM4EHPGDHSD17B10
SCHEMBL17840643 0.79 TGFBR1 (0.58) TGFBR1TGFBR2KDM4EHPGDHSD17B10
SCHEMBL17840617 0.79 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17863797 0.78 TGFBR1 (0.46) TGFBR1TGFBR2KDM4EHPGDHSD17B10

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 1/4885KDM4E 2283/4885

“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.