SCHEMBL2989288

SCHEMBL2989288

CN(C)CCCOC=CS(=O)(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.59
ERBB2 P04626 8/20 0.52
ERBB4 Q15303 4/20 0.52
GRM1 Q13255 1/20 0.49
FBP1 P09467 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 1/20 0.47
INSR P06213 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK1 P49759 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL2989286 1.00 EGFR (0.59) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL3001828 0.88 EGFR (0.60) EGFRERBB2ERBB4FBP1
SCHEMBL3001829 0.88 EGFR (0.60) EGFRERBB2ERBB4FBP1
SCHEMBL2998215 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL7763013 0.77 EGFR (0.72) EGFRERBB2FBP1AURKAINSR
SCHEMBL2102985 0.74 EGFR (1.00) EGFRERBB2FBP1AURKAINSR
SCHEMBL17520337 0.74 EGFR (1.00) EGFRERBB2FBP1AURKAINSR
SCHEMBL2986591 0.73 EGFR (0.56) EGFRERBB2ERBB4FLT4KDR
SCHEMBL2986588 0.73 EGFR (0.56) EGFRERBB2ERBB4FLT4KDR
SCHEMBL2985829 0.73 EGFR (0.61) EGFRERBB2ERBB4PDGFRBFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US disclosed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 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 (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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA EGFR 47/4885ERBB2 183/4885ERBB4 110/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885ERBB2 23/4885ERBB4 18/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885ERBB4 13/4885

“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.