SCHEMBL17840563

SCHEMBL17840563

COc1ccnc(C#Cc2ccnc(NC(C)=O)c2)c1NC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MET P08581 1/20 0.38
AAK1 Q2M2I8 8/20 0.37
CYP3A4 P08684 5/20 0.37
RIPK2 O43353 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
ACACB O00763 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL17840898 0.87 L3MBTL1 (0.38) AAK1CYP3A4L3MBTL1PIK3C3
SCHEMBL17840582 0.86 TYK2 (0.41) L3MBTL1PIK3C3
SCHEMBL30365666 0.86 TYK2 (0.41) L3MBTL1PIK3C3
SCHEMBL17840827 0.84 L3MBTL1 (0.36) AAK1CYP3A4L3MBTL1PIK3C3
SCHEMBL17840751 0.84 AAK1 (0.40) AAK1CYP3A4L3MBTL1PIK3C3ACACB
SCHEMBL17840655 0.83 AAK1 (0.38) AAK1CYP3A4L3MBTL1PIK3C3ACACB
SCHEMBL17840721 0.83 AAK1 (0.37) AAK1CYP3A4L3MBTL1ACACB
SCHEMBL17871067 0.82 L3MBTL1 (0.34) AAK1CYP3A4L3MBTL1PIK3C3ACACB
SCHEMBL17871069 0.82 L3MBTL1 (0.34) AAK1CYP3A4L3MBTL1PIK3C3ACACB
SCHEMBL17840637 0.82 L3MBTL1 (0.39) AAK1CYP3A4L3MBTL1PIK3C3ACACB

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 CYP1A2 4664/4885CYP2C9 4877/4885CYP2C19 4872/4885

“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.