SCHEMBL17840693

SCHEMBL17840693

COc1ccc(-c2c(-c3ccnc(N)c3)[nH]c3cc(Cl)cnc23)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.52
DYRK1A Q13627 5/20 0.45
TGFBR2 P37173 4/20 0.45
MET P08581 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CDC7 O00311 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 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
SCHEMBL17840897 0.92 TGFBR1 (0.54) TGFBR1DYRK1ATGFBR2METGSK3B
SCHEMBL17863767 0.86 TGFBR1 (0.49) TGFBR1DYRK1ATGFBR2METGRIN2D
SCHEMBL17840708 0.84 DYRK1A (0.41) TGFBR1DYRK1ATGFBR2METGSK3B
SCHEMBL17840942 0.84 TGFBR1 (0.48) TGFBR1DYRK1ATGFBR2METMAPK13
SCHEMBL17840639 0.83 TGFBR1 (0.59) TGFBR1TGFBR2METMAPK13MAPK12
SCHEMBL17840930 0.81 TGFBR1 (0.78) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17840623 0.81 TGFBR1 (0.55) TGFBR1TGFBR2METMAPK13MAPK12
SCHEMBL17840767 0.81 TGFBR1 (0.67) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17863798 0.81 TGFBR1 (0.42) TGFBR1DYRK1ATGFBR2METGRIN2D
SCHEMBL17840834 0.81 TGFBR1 (0.52) TGFBR1DYRK1ATGFBR2METGRIN2D

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 2/4885DYRK1A 947/4885TGFBR2 1/4885

“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.