SCHEMBL4487877

SCHEMBL4487877

CCc1cccc(NNCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.50
SIGMAR1 Q99720 9/20 0.45
MAPT P10636 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL6995834 0.83 RAPGEF4 (0.53) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL16590399 0.82 RAPGEF4 (0.51) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL28200859 0.80 RAPGEF4 (0.50) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL8896899 0.79 RAPGEF4 (0.67) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL21969785 0.77 RAPGEF4 (0.47) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL3617649 0.77 RAPGEF4 (0.55) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL20984483 0.76 GAA (0.61) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL28092014 0.76 RAPGEF4 (0.46) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL28636989 0.76 RAPGEF4 (0.46) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B
SCHEMBL28091889 0.76 RAPGEF4 (0.46) RAPGEF4SIGMAR1MAPTGRIN2DGRIN3B

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-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 RAPGEF4 1372/4885SIGMAR1 1869/4885MAPT 737/4885

“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.