SCHEMBL17840836

SCHEMBL17840836

COc1ccc(-c2c(-c3ccnc(NC(=O)CN4CCN(CCO)CC4)c3)[nH]c3cc(OC)cnc23)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.58
TGFBR2 P37173 6/20 0.52
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
BUB1 O43683 2/20 0.40
KCNA5 P22460 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17840954 0.95 TGFBR1 (0.56) TGFBR1TGFBR2ALDH1A1MAPTALOX15
SCHEMBL17840548 0.94 TGFBR1 (0.60) TGFBR1TGFBR2ALDH1A1MAPTKCNA5
SCHEMBL17840780 0.90 TGFBR1 (0.53) TGFBR1TGFBR2ALDH1A1MAPTBUB1
SCHEMBL17840643 0.89 TGFBR1 (0.58) TGFBR1TGFBR2ALDH1A1BUB1HPGD
SCHEMBL17840617 0.88 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1MAPTKCNA5
SCHEMBL17840605 0.87 TGFBR1 (0.55) TGFBR1TGFBR2BUB1HPGDHSD17B10
SCHEMBL17840955 0.87 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1MAPTBUB1
SCHEMBL17840879 0.86 TGFBR1 (0.57) TGFBR1TGFBR2KDM4EGSK3BDYRK1A
SCHEMBL17840820 0.85 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1HPGDHSD17B10
SCHEMBL17863801 0.84 TGFBR1 (0.54) TGFBR1TGFBR2ALDH1A1BUB1KCNA5

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 1/4885ALDH1A1 2963/4885

“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.