SCHEMBL17840708

SCHEMBL17840708

COc1ccc(-c2c(-c3ccnc(N)c3)[nH]c3cc(Cl)cnc23)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
TGFBR1 P36897 5/20 0.40
TGFBR2 P37173 3/20 0.40
MET P08581 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC7 O00311 1/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
MAPT P10636 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL17863798 0.88 TGFBR1 (0.42) DYRK1ATGFBR1TGFBR2METAAK1
SCHEMBL17840693 0.84 TGFBR1 (0.52) DYRK1ATGFBR1TGFBR2METCDC7
SCHEMBL17840681 0.83 TGFBR1 (0.63) TGFBR1TGFBR2AAK1
SCHEMBL17863767 0.82 TGFBR1 (0.49) DYRK1ATGFBR1TGFBR2METTLR9
SCHEMBL17840810 0.81 TGFBR1 (0.51) TGFBR1TGFBR2AAK1MAPTMAPK14
SCHEMBL17840942 0.78 TGFBR1 (0.48) DYRK1ATGFBR1TGFBR2METTLR9
SCHEMBL17840834 0.78 TGFBR1 (0.52) DYRK1ATGFBR1TGFBR2METTLR9
SCHEMBL17863813 0.76 MET (0.46) DYRK1ATGFBR1TGFBR2METTLR9
SCHEMBL17840897 0.76 TGFBR1 (0.54) DYRK1ATGFBR1TGFBR2METCDC7
SCHEMBL17840803 0.76 TGFBR1 (0.46) DYRK1ATGFBR1TGFBR2AAK1GSK3B

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 DYRK1A 947/4885TGFBR1 2/4885TGFBR2 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.