SCHEMBL3733685

SCHEMBL3733685

CN(C)C(=O)C=Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.37
KRAS P01116 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MDM4 O15151 1/20 0.36
MAPT P10636 1/20 0.36
MDM2 Q00987 1/20 0.36
KMT2A Q03164 1/20 0.36
MAT2A P31153 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 6/20 0.35
SLC6A2 P23975 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
SCHEMBL6284514 0.81 ABCG2 (0.44) ABCG2NFKB1KRASLMNAHPGD
SCHEMBL6284512 0.81 ABCG2 (0.44) ABCG2NFKB1KRASLMNAHPGD
SCHEMBL12641748 0.79 MAOB (0.46) ABCG2NFKB1KRASLMNASMN1; SMN2
SCHEMBL4705200 0.77 NFKB1 (0.68) ABCG2NFKB1LMNAATMSMN1; SMN2
SCHEMBL18215497 0.74 NFE2L2 (0.38) NFKB1NFE2L2MAT2AKCNH2
SCHEMBL4360132 0.72 NFE2L2 (0.46) NFKB1EPHX2KEAP1NFE2L2
SCHEMBL12641533 0.71 NFE2L2 (0.38) NFKB1TDP1NFE2L2MAT2AKCNH2
SCHEMBL20086556 0.70 P2RX7 (0.37) NFE2L2MAT2AKCNH2SLC6A2SLC6A4
SCHEMBL18215568 0.70 NFE2L2 (0.35) NFE2L2MAT2AKCNH2SLC6A2SLC6A4
SCHEMBL163605 0.70 SLC22A12 (0.41) NFKB1TDP1NFE2L2KMT2A

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
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 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 (3 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ABCG2 990/4885NFKB1 1504/4885TDP1 854/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP ABCG2 990/4885NFKB1 1504/4885TDP1 854/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ABCG2 990/4885NFKB1 1504/4885TDP1 854/4885

“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.