SCHEMBL17840748

SCHEMBL17840748

CC(=O)Nc1cc(C#Cc2ncc(Cl)cc2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
PIK3C3 Q8NEB9 7/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
GRM5 P41594 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MAPK14 Q16539 5/20 0.36
MAPK13 O15264 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ACVRL1 P37023 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
SCHEMBL17840596 0.88 PIK3C3 (0.41) PIK3C3TGFBR1MAPK14L3MBTL1
SCHEMBL17840786 0.88 PIK3C3 (0.38) PIK3C3TGFBR1TGFBR2MAPK14MAPK13
SCHEMBL17840555 0.88 PIK3C3 (0.38) PIK3C3MAPK14MAPK13L3MBTL1
SCHEMBL17840843 0.86 KDR (0.39) PIK3C3TGFBR1MAPK14MAPK13
SCHEMBL25248027 0.84 PIK3C3 (0.39) PIK3C3GRM5MAPK14L3MBTL1
SCHEMBL30365755 0.84 PIK3C3 (0.39) PIK3C3GRM5MAPK14L3MBTL1
SCHEMBL17840796 0.84 L3MBTL1 (0.40) PIK3C3TGFBR1JAK2JAK1TYK2
SCHEMBL30365566 0.84 L3MBTL1 (0.40) PIK3C3TGFBR1JAK2JAK1TYK2
SCHEMBL30365666 0.83 TYK2 (0.41) PTK2PIK3C3GRM5JAK2JAK1
SCHEMBL17840582 0.83 TYK2 (0.41) PTK2PIK3C3GRM5JAK2JAK1

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 PTK2 735/4885PIK3C3 2608/4885TGFBR1 2/4885

“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.