SCHEMBL17840898

SCHEMBL17840898

CC(=O)Nc1cc(C#Cc2nccc(C)c2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
PIK3C3 Q8NEB9 10/20 0.37
GRM5 P41594 1/20 0.37
MAPKAPK2 P49137 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
ABL1 P00519 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL17863796 0.90 PIK3C3 (0.42) L3MBTL1PIK3C3MAPKAPK2JAK2JAK1
SCHEMBL17840582 0.88 TYK2 (0.41) L3MBTL1PIK3C3GRM5MAPKAPK2JAK2
SCHEMBL30365666 0.88 TYK2 (0.41) L3MBTL1PIK3C3GRM5MAPKAPK2JAK2
SCHEMBL17840563 0.87 CYP1A2 (0.40) L3MBTL1PIK3C3AAK1CYP3A4
SCHEMBL17840827 0.86 L3MBTL1 (0.36) L3MBTL1PIK3C3MAPKAPK2JAK2JAK1
SCHEMBL17840751 0.86 AAK1 (0.40) L3MBTL1PIK3C3MAPKAPK2JAK2JAK1
SCHEMBL17840655 0.85 AAK1 (0.38) L3MBTL1PIK3C3MAPKAPK2AAK1CYP3A4
SCHEMBL17840721 0.85 AAK1 (0.37) L3MBTL1MAPKAPK2AAK1CYP3A4
SCHEMBL17871067 0.84 L3MBTL1 (0.34) L3MBTL1PIK3C3MAPKAPK2JAK2JAK1
SCHEMBL17871069 0.84 L3MBTL1 (0.34) L3MBTL1PIK3C3MAPKAPK2JAK2JAK1

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 6 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

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 L3MBTL1 903/4885PIK3C3 2608/4885GRM5 992/4885

“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.