SCHEMBL17840772

SCHEMBL17840772

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.72
TGFBR2 P37173 8/20 0.71
MAPK14 Q16539 5/20 0.42
PRKD1 Q15139 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
CIT O14578 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
DAPK1 P53355 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PKN2 Q16513 1/20 0.41
TLK2 Q86UE8 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MYLK2 Q9H1R3 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41

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
SCHEMBL17840760 0.90 TGFBR1 (0.73) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840594 0.90 TGFBR1 (0.64) TGFBR1TGFBR2AAK1CITDAPK3
SCHEMBL17840928 0.85 TGFBR1 (0.78) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840859 0.85 TGFBR1 (0.75) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840785 0.84 TGFBR1 (0.81) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840539 0.84 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840683 0.84 TGFBR1 (0.77) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840826 0.83 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840614 0.83 TGFBR1 (0.81) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840765 0.82 TGFBR1 (0.80) TGFBR1TGFBR2MAPK14PRKD1MAPK13

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 1/4885MAPK14 2316/4885

“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.