SCHEMBL4072097

SCHEMBL4072097

Clc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
EPHB3 P54753 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AHR P35869 1/20 0.37

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) SMN1; SMN2LMNANPC1RAB9AMAPK14
SCHEMBL15007237 0.81 HSD11B1 (0.52) HSD11B1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4076128 0.81 MAPK14 (0.44) HSD11B1PDE2APDE10AKDM4EMAPK14
SCHEMBL4082120 0.80 PDE2A (0.40) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4079533 0.80 PTGS1 (0.43) HSD11B1LMNAMAPK14GAA
SCHEMBL4070456 0.79 MAPK14 (0.37) ALDH1A1SMN1; SMN2LMNAMAPK14GAA
SCHEMBL4073505 0.78 MAPK14 (0.41) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4070718 0.78 MAPK14 (0.54) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4071394 0.78 PDE5A (0.40) EPHB3MAPK14AHR
SCHEMBL379749 0.77 HSD11B1 (0.48) HSD11B1ALDH1A1SMN1; SMN2LMNANPC1

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 11 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-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 US disclosed
EP-1601672-A1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050075365-A1 Novel triazolo-pyridines as anti-inflammatory compounds PFIZER, INC. (US) 2005-04-07 US disclosed
WO-2004072072-A1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2004-08-26 WO 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-20050075365-A1 Novel triazolo-pyridines as anti-inflammatory compounds MAPK6, IL6, GRK6 HSD11B1 3008/4885ALDH1A1 3595/4885SMN1; SMN2 2194/4885
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 HSD11B1 702/4885ALDH1A1 2400/4885SMN1; SMN2 4055/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 HSD11B1 698/4885ALDH1A1 2388/4885SMN1; SMN2 4290/4885

“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.