SCHEMBL17840586

SCHEMBL17840586

CC(=O)Nc1cc(-c2c(-c3nc(C)cs3)c3nc(Br)cc(C#N)c3n2COCC[Si](C)(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK14 Q16539 16/20 0.35
MAPK10 P53779 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL17840906 0.86 AAK1 (0.39) RIPK3AAK1CYP3A4MAPK14MAPK10
SCHEMBL17863827 0.85 AAK1 (0.38) RIPK3AAK1CYP3A4MAPK14MAPK10
SCHEMBL17840911 0.85 TGFBR1 (0.44) RIPK3AAK1CYP3A4MAPK14MAPK10
SCHEMBL17871482 0.84 ALDH1A1 (0.30)
SCHEMBL17840621 0.74 TGFBR1 (0.44) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL17863829 0.74 MAPK14 (0.36) MAPK14MAPK10GSK3BMAPK13MAPK12
SCHEMBL25207714 0.70 MAPK14 (0.41) AAK1CYP3A4MAPK14MAPK10MAPK13
SCHEMBL30365610 0.70 MAPK14 (0.41) AAK1CYP3A4MAPK14MAPK10MAPK13
SCHEMBL25224714 0.69 BUB1 (0.41) RIPK3MAPK14MAPK10MAPK13MAPK12
SCHEMBL25202926 0.69 TGFBR1 (0.41) RIPK3AAK1CYP3A4MAPK14MAPK10

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 9 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
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
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 RIPK3 316/4885AAK1 2658/4885CYP3A4 4824/4885

“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.