SCHEMBL5449798

SCHEMBL5449798

CC#CC(O)c1c(-c2ccc(F)cc2)nn2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
RECQL P46063 2/20 0.32
PTGS2 P35354 1/20 0.31
FFAR1 O14842 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
GRM5 P41594 1/20 0.31
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL5459476 0.86 MAPK14 (0.49) MAPK14RECQLEGFRRAF1ADORA3
SCHEMBL5458481 0.80 MAPK14 (0.52) MAPK14RECQLPTGS2EGFRRAF1
SCHEMBL5464020 0.74 MAPK14 (0.51) MAPK14PTGS2GRM5
SCHEMBL5461774 0.74 RORC (0.40) MAPK14GRM5
SCHEMBL5457630 0.72 MAPK14 (0.63) MAPK14PTGS2EGFRRAF1ADORA3
SCHEMBL5943206 0.70 PIK3CD (0.34) MAPK14RECQL
SCHEMBL5460475 0.69 MAPK14 (0.53) MAPK14PTGS2
SCHEMBL5463248 0.69 MAPK14 (0.59) MAPK14PTGS2EGFRRAF1ADORA3
SCHEMBL5451211 0.68 MAPK14 (0.52) MAPK14PTGS2GRM5
SCHEMBL5457469 0.68 MAPK14 (1.00) MAPK14PTGS2EGFRRAF1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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 (1 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPK14 2533/4885RECQL 1064/4885PTGS2 802/4885

“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.