SCHEMBL17840957

SCHEMBL17840957

CC(=O)Nc1cc(C#Cc2ncc(C#N)cc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.41
PIK3C3 Q8NEB9 11/20 0.40
MAPK9 P45984 5/20 0.40
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
MAPK10 P53779 2/20 0.39
MAP4K2 Q12851 2/20 0.39
PKN2 Q16513 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CHUK O15111 1/20 0.39
CDK2 P24941 1/20 0.39
CLK2 P49760 1/20 0.39
ITK Q08881 1/20 0.39
PASK Q96RG2 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39

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
SCHEMBL17840838 0.86 PIK3C3 (0.43) PIK3C3L3MBTL1
SCHEMBL17840801 0.85 PIK3C3 (0.42) PIK3C3GSK3B
SCHEMBL17840740 0.85 PIK3C3 (0.41) PIK3C3L3MBTL1
SCHEMBL17840823 0.85 PTK2 (0.45) PIK3C3
SCHEMBL25214305 0.83 PIK3C3 (0.41) PIK3C3L3MBTL1
SCHEMBL17840730 0.83 MET (0.42) MAPK8PIK3C3MAPK9
SCHEMBL17840742 0.81 JAK2 (0.41) PIK3C3L3MBTL1
SCHEMBL3558994 0.79 L3MBTL1 (0.52) PIK3C3GRM5L3MBTL1GSK3AGSK3B
SCHEMBL17840536 0.78 PIK3C3 (0.44) PIK3C3L3MBTL1
SCHEMBL17863762 0.76 GRM5 (0.50) PIK3C3GRM5L3MBTL1

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
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
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 MAPK8 1690/4885PIK3C3 2608/4885MAPK9 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.