SCHEMBL7122346

SCHEMBL7122346

O=[N+]([O-])c1ccc2ncnc(N3CCc4ccc(Br)cc43)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.60
ROCK1 Q13464 1/20 0.47
HTT P42858 6/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TNF P01375 1/20 0.44
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NOD2 Q9HC29 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOD1 Q9Y239 1/20 0.44
EIF2AK2 P19525 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL8648167 0.87 ROCK1 (0.47) EGFRROCK1HTTEIF2AK2SMN1; SMN2
SCHEMBL9115422 0.84 ROCK1 (0.44) EGFRROCK1HTTKMT2AEIF2AK2
SCHEMBL7124185 0.82 EGFR (0.63) EGFRROCK1HTTALDH1A1MEN1
SCHEMBL31053046 0.79 EGFR (0.60) EGFRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL8650527 0.79 EGFR (0.67) EGFRROCK1CSF1RPDGFRBKDR
SCHEMBL8645966 0.79 ROCK1 (0.47) EGFRROCK1HTTMEN1MAPT
Hydrochloric Acid SCHEMBL8649552 0.78 ROCK1 (0.46) EGFRROCK1HTTMEN1MAPT
SCHEMBL7117675 0.77 EGFR (0.59) EGFRROCK1EIF2AK2PDGFRBALK
SCHEMBL7128491 0.77 EGFR (0.59) EGFRROCK1EIF2AK2PDGFRBALK
SCHEMBL7117678 0.77 EGFR (0.59) EGFRROCK1EIF2AK2PDGFRBALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 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 (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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ROCK1 177/4885HTT 2086/4885

“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.