SCHEMBL17840820

SCHEMBL17840820

COc1ccc(-c2c(-c3ccnc(NC(=O)CN4CCOCC4)c3)[nH]c3cc(Cl)cnc23)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.57
TGFBR2 P37173 5/20 0.51
GSK3B P49841 5/20 0.46
DYRK1A Q13627 5/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.42
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 1/20 0.42
WNT1 P04628 1/20 0.41
WNT3A P56704 2/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL17840955 0.92 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17840617 0.92 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17840954 0.90 TGFBR1 (0.56) TGFBR1TGFBR2ALDH1A1HPGDHSD17B10
SCHEMBL17863800 0.90 TGFBR1 (0.55) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17840612 0.88 TGFBR1 (0.54) TGFBR1TGFBR2GSK3BDYRK1AKMT2A
SCHEMBL17840874 0.86 TGFBR1 (0.64) TGFBR1TGFBR2GSK3BALDH1A1L3MBTL1
SCHEMBL17840945 0.86 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1ASLC2A1
SCHEMBL17840548 0.86 TGFBR1 (0.60) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17840836 0.85 TGFBR1 (0.58) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1
SCHEMBL17840643 0.85 TGFBR1 (0.58) TGFBR1TGFBR2GSK3BDYRK1AALDH1A1

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
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
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

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.