SCHEMBL17840813

SCHEMBL17840813

COc1ccc(N)c(C#Cc2ccnc(NC(C)=O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.42
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
TGFBR1 P36897 2/20 0.39
TGFBR2 P37173 2/20 0.39
AAK1 Q2M2I8 2/20 0.39
CYP3A4 P08684 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP1A2 P05177 1/20 0.38
PIK3C3 Q8NEB9 10/20 0.38
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL19133730 0.87 ACACB (0.43) ACACBTGFBR1TGFBR2AAK1CYP3A4
SCHEMBL17863762 0.85 GRM5 (0.50) TGFBR1TGFBR2PIK3C3
SCHEMBL25231512 0.84 JAK2 (0.41) AAK1PIK3C3
SCHEMBL30365668 0.84 JAK2 (0.41) AAK1PIK3C3
SCHEMBL17840543 0.84 GRM5 (0.41) TGFBR1TGFBR2CYP3A4PIK3C3
SCHEMBL17840686 0.81 ACACB (0.38) ACACBTGFBR1TGFBR2FFAR1CYP1A2
SCHEMBL17840896 0.80 AAK1 (0.43) ACACBMAPK8MAPK9AAK1CYP3A4
SCHEMBL17840742 0.80 JAK2 (0.41) AAK1PIK3C3
SCHEMBL17840730 0.80 MET (0.42) MAPK8MAPK9TGFBR1AAK1CYP3A4
SCHEMBL17840536 0.77 PIK3C3 (0.44) AAK1PIK3C3

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 ACACB 2045/4885MAPK8 1690/4885MAPK9 1406/4885

“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.