SCHEMBL17840555

SCHEMBL17840555

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 11/20 0.38
MAPK14 Q16539 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK13 O15264 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL17840786 0.88 PIK3C3 (0.38) PIK3C3MAPK14L3MBTL1MAPK13
SCHEMBL17840596 0.88 PIK3C3 (0.41) PIK3C3MAPK14L3MBTL1
SCHEMBL17840748 0.88 PTK2 (0.40) PIK3C3MAPK14L3MBTL1MAPK13
SCHEMBL17840843 0.86 KDR (0.39) PIK3C3MAPK14MAPK13
SCHEMBL25248027 0.84 PIK3C3 (0.39) PIK3C3MAPK14L3MBTL1
SCHEMBL30365755 0.84 PIK3C3 (0.39) PIK3C3MAPK14L3MBTL1
SCHEMBL17840796 0.84 L3MBTL1 (0.40) PIK3C3MAPK14L3MBTL1MAPK13
SCHEMBL30365566 0.84 L3MBTL1 (0.40) PIK3C3MAPK14L3MBTL1MAPK13
SCHEMBL17840740 0.80 PIK3C3 (0.41) PIK3C3L3MBTL1
SCHEMBL17840852 0.80 MAPK14 (0.37) PIK3C3MAPK14L3MBTL1MAPK13

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 PIK3C3 2608/4885MAPK14 2316/4885L3MBTL1 903/4885

“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.