SCHEMBL17840792

SCHEMBL17840792

CCOC(=O)c1cc(Br)nc2cc(-c3ccnc(NC(C)=O)c3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
JAK3 P52333 1/20 0.43
PIK3C3 Q8NEB9 7/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
MAPK14 Q16539 3/20 0.40
AAK1 Q2M2I8 3/20 0.38
CYP3A4 P08684 1/20 0.38
RIPK2 O43353 1/20 0.38
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
GCGR P47871 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
SCHEMBL17840572 0.90 PIK3C3 (0.43) GSK3BPIK3C3MAPK14
SCHEMBL17840560 0.87 PIK3C3 (0.45) GSK3BPIK3C3MAPK14
SCHEMBL17840719 0.79 PIK3C3 (0.43) GSK3BPIK3C3MAPK14
SCHEMBL17840790 0.79 PIK3C3 (0.43) GSK3BPIK3C3MAPK14AAK1CYP3A4
SCHEMBL17840665 0.77 KDM5A (0.48) PIK3C3
SCHEMBL17863806 0.75 KDM5A (0.51) GSK3BPIK3C3MAPK14
SCHEMBL17863750 0.75 PIK3C3 (0.45) GSK3BPIK3C3MAPK14
SCHEMBL17840818 0.74 KDM5A (0.46) GSK3BPIK3C3MAPK14
SCHEMBL624328 0.73 JAK3 (0.45) GSK3BJAK3PIK3C3AAK1CYP3A4
SCHEMBL17840578 0.73 PIK3C3 (0.50) GSK3BPIK3C3MAPK14

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 GSK3B 33/4885JAK3 2827/4885PIK3C3 2608/4885

“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.