SCHEMBL3146016

SCHEMBL3146016

O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.O=C(O)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
PIM1 P11309 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36
CDK8 P49336 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
TYRO3 Q06418 1/20 0.36
MAP4K2 Q12851 1/20 0.36
DYRK1A Q13627 1/20 0.36
AURKB Q96GD4 1/20 0.36
KDM1A O60341 1/20 0.36
PTGS2 P35354 2/20 0.36
MCHR1 Q99705 1/20 0.35
TTK P33981 2/20 0.35
BCL2L1 Q07817 2/20 0.35
MCL1 Q07820 2/20 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
SCHEMBL4459219 0.94 PTGS2 (0.40) CHEK1NTRK1METPIM1LTK
SCHEMBL3137695 0.88 TLR7 (0.39) KDM1ATTKSRCGPR6ALKBH2
SCHEMBL3142068 0.85 YTHDC1 (0.38) CHEK1NTRK1METPIM1LTK
SCHEMBL3141165 0.82 TTK (0.39) TYRO3TTKSRCCDK1
SCHEMBL3138810 0.82 TTK (0.38) CHEK1TTKSRC
SCHEMBL3141046 0.80 YTHDC1 (0.41) PTGS2BCL2L1MCL1PTGS1SRC
SCHEMBL3142034 0.80 GRM1 (0.46) NTRK1GRM1CDK1TP53
SCHEMBL3137890 0.79 TLR7 (0.42) DYRK1A
SCHEMBL3141117 0.77 YTHDC1 (0.39) TTKSRCCDK1
SCHEMBL27611647 0.76 TLR7 (0.35) TTKGRM1SRCCDK1

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
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US claimed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US claimed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US claimed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US claimed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A CHEK1 2601/4885NTRK1 4551/4885MET 4679/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CHEK1 2601/4885NTRK1 4551/4885MET 4679/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CHEK1 2601/4885NTRK1 4551/4885MET 4679/4885

“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.