SCHEMBL17840730

SCHEMBL17840730

COc1cnc(C#Cc2ccnc(NC(C)=O)c2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
PIK3C3 Q8NEB9 10/20 0.42
TGFBR1 P36897 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
NR3C2 P08235 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
TP53 P04637 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
SCHEMBL17840838 0.85 PIK3C3 (0.43) PIK3C3TGFBR1
SCHEMBL17840823 0.84 PTK2 (0.45) PIK3C3TGFBR1
SCHEMBL17840740 0.84 PIK3C3 (0.41) PIK3C3
SCHEMBL17840801 0.84 PIK3C3 (0.42) PIK3C3TGFBR1
SCHEMBL17840957 0.83 MAPK8 (0.41) PIK3C3MAPK8MAPK9
SCHEMBL17865339 0.81 MET (0.38) METPIK3C3TGFBR1AAK1NR3C2
SCHEMBL17840843 0.81 KDR (0.39) METPIK3C3TGFBR1NR3C2ADORA3
SCHEMBL25214305 0.80 PIK3C3 (0.41) PIK3C3
SCHEMBL17840896 0.80 AAK1 (0.43) METPIK3C3AAK1NR3C2CYP3A4
SCHEMBL17840742 0.80 JAK2 (0.41) PIK3C3AAK1

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 MET 218/4885PIK3C3 2608/4885TGFBR1 2/4885

“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.