SCHEMBL4079295

SCHEMBL4079295

Cc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 6/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
AHR P35869 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
PDE5A O76074 1/20 0.36
FLT1 P17948 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
SCHEMBL4217144 0.84 MAPK14 (0.59) MAPK14TSHRGAAPIM1PIM2
SCHEMBL4070456 0.83 MAPK14 (0.37) MAPK14SMN1; SMN2GAALMNAPIM1
SCHEMBL4072097 0.83 HSD11B1 (0.49) MAPK14SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4076128 0.83 MAPK14 (0.44) MAPK14GAAPIM1PIM2AHR
SCHEMBL4071394 0.82 PDE5A (0.40) MAPK14PIM1PIM2AHRPARP1
SCHEMBL4073505 0.82 MAPK14 (0.41) MAPK14SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4070718 0.82 MAPK14 (0.54) MAPK14SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12575452 0.78 BRD4 (0.47) MAPK14GAAPIM1PARP1FLT1
SCHEMBL10364834 0.77 PDE5A (0.39) MAPK14SMN1; SMN2NPC1RAB9APIM1
SCHEMBL5346916 0.75 ALDH1A1 (0.39) MAPK14SMN1; SMN2NPC1RAB9ATSHR

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 24/4885SMN1; SMN2 4055/4885NPC1 1088/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885SMN1; SMN2 4290/4885NPC1 934/4885

“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.