SCHEMBL17840767

SCHEMBL17840767

COC(=O)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2ccc(OC)cn2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.67
TGFBR2 P37173 8/20 0.59
AAK1 Q2M2I8 7/20 0.45
PIK3C3 Q8NEB9 1/20 0.42
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
CIT O14578 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MYLK2 Q9H1R3 2/20 0.39
GAK O14976 1/20 0.39
ROCK2 O75116 1/20 0.39
CYP3A4 P08684 1/20 0.39
TNIK Q9UKE5 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL17840666 0.93 TGFBR1 (0.70) TGFBR1TGFBR2AAK1PIK3C3CIT
SCHEMBL17840930 0.93 TGFBR1 (0.78) TGFBR1TGFBR2PIK3C3GRIN2DGRIN3B
SCHEMBL17840874 0.90 TGFBR1 (0.64) TGFBR1TGFBR2AAK1GRIN2DGRIN3B
SCHEMBL17840787 0.89 TGFBR1 (0.64) TGFBR1TGFBR2AAK1PIK3C3
SCHEMBL17840698 0.86 TGFBR1 (0.79) TGFBR1TGFBR2PIK3C3
SCHEMBL17840914 0.86 TGFBR1 (0.74) TGFBR1TGFBR2PIK3C3
SCHEMBL17840736 0.86 TGFBR1 (0.82) TGFBR1TGFBR2PIK3C3
SCHEMBL17840639 0.85 TGFBR1 (0.59) TGFBR1TGFBR2GRIN2DGRIN3BGRIN1
SCHEMBL17840955 0.84 TGFBR1 (0.57) TGFBR1TGFBR2
SCHEMBL17840617 0.84 TGFBR1 (0.57) TGFBR1TGFBR2

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 5 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
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 1/4885AAK1 2658/4885

“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.