SCHEMBL4076128

SCHEMBL4076128

Fc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
POLB P06746 1/20 0.40
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AHR P35869 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
SRC P12931 1/20 0.36
GSK3A P49840 1/20 0.36
PARP1 P09874 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL4079295 0.83 MAPK14 (0.44) MAPK14POLBGAAAHRPIM1
SCHEMBL4214798 0.83 SMN1; SMN2 (0.44) MAPK14GAAKDM4EPIM1PIM2
SCHEMBL4072097 0.81 HSD11B1 (0.49) MAPK14HSD11B1GAANPSR1AHR
SCHEMBL4070456 0.79 MAPK14 (0.37) MAPK14GAAAHRPIM1PIM2
SCHEMBL4070718 0.78 MAPK14 (0.54) MAPK14POLBGAAPDE2APDE10A
SCHEMBL4071394 0.78 PDE5A (0.40) MAPK14AHRPIM1PIM2PARP1
SCHEMBL4073505 0.78 MAPK14 (0.41) MAPK14GAANPSR1AHRKDM4E
SCHEMBL380073 0.77 HSD11B1 (0.40) MAPK14POLBHSD11B1NPSR1PDE2A
SCHEMBL12575452 0.77 BRD4 (0.47) MAPK14GAAKDM4EPIM1PARP1
SCHEMBL32665400 0.74 KDM4E (0.57) MAPK14AHRKDM4EPIM1

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-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (2 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885POLB 2000/4885HSD11B1 702/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885POLB 1976/4885HSD11B1 698/4885

“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.