SCHEMBL17840686

SCHEMBL17840686

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
FGFR1 P11362 1/20 0.37
PIK3C3 Q8NEB9 3/20 0.36
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
FFAR1 O14842 1/20 0.35
BRAF P15056 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 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
SCHEMBL19133730 0.91 ACACB (0.43) ACACBPIK3C3TGFBR1TGFBR2CYP1A2
SCHEMBL17840852 0.87 MAPK14 (0.37) PIK3C3TGFBR1TGFBR2MAPK14MAPK13
SCHEMBL25246220 0.87 GRM5 (0.40) PIK3C3TGFBR1TGFBR2MAPK14MAPK13
SCHEMBL30365653 0.87 MAPK14 (0.37) PIK3C3TGFBR1TGFBR2MAPK14MAPK13
SCHEMBL17840796 0.82 L3MBTL1 (0.40) PIK3C3TGFBR1MAPK14MAPK13L3MBTL1
SCHEMBL30365566 0.82 L3MBTL1 (0.40) PIK3C3TGFBR1MAPK14MAPK13L3MBTL1
SCHEMBL17840843 0.82 KDR (0.39) FGFR1PIK3C3TGFBR1CYP1A2CYP2C9
SCHEMBL17840813 0.81 ACACB (0.42) ACACBPIK3C3TGFBR1TGFBR2CYP1A2
SCHEMBL17840563 0.81 CYP1A2 (0.40) ACACBPIK3C3CYP1A2CYP2C9CYP2C19
SCHEMBL17840596 0.78 PIK3C3 (0.41) PIK3C3TGFBR1MAPK14L3MBTL1

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 ACACB 2045/4885FGFR1 111/4885PIK3C3 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.