SCHEMBL2985832

SCHEMBL2985832

O=S(=O)(C=CCCCN1CCOCC1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.61
ERBB2 P04626 9/20 0.61
ERBB4 Q15303 7/20 0.59
JAK3 P52333 2/20 0.59
KIT P10721 3/20 0.57
SRC P12931 3/20 0.57
ERBB3 P21860 3/20 0.57
CIT O14578 2/20 0.57
GAK O14976 2/20 0.57
EPHB6 O15197 2/20 0.57
RIPK2 O43353 2/20 0.57
STK17B O94768 2/20 0.57
STK10 O94804 2/20 0.57
ABL1 P00519 2/20 0.57
LCK P06239 2/20 0.57
LYN P07948 2/20 0.57
RET P07949 2/20 0.57
MET P08581 2/20 0.57
HCK P08631 2/20 0.57
FGR P09769 2/20 0.57

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
SCHEMBL2985829 1.00 EGFR (0.61) EGFRERBB2ERBB4JAK3KIT
SCHEMBL2986321 0.85 EGFR (0.64) EGFRERBB2
SCHEMBL2986319 0.85 EGFR (0.64) EGFRERBB2
SCHEMBL2986588 0.81 EGFR (0.56) EGFRERBB2ERBB4JAK3KIT
SCHEMBL2986591 0.81 EGFR (0.56) EGFRERBB2ERBB4JAK3KIT
SCHEMBL13436607 0.78 EGFR (0.63) EGFRERBB2ERBB4JAK3KIT
SCHEMBL8629162 0.77 EGFR (0.79) EGFRERBB2ERBB4JAK3KIT
SCHEMBL28713534 0.76 EGFR (0.92) EGFRERBB2ERBB4JAK3KIT
SCHEMBL29577833 0.76 EGFR (0.92) EGFRERBB2ERBB4JAK3KIT
SCHEMBL7766288 0.76 EGFR (0.73) EGFRERBB2ERBB4JAK3KIT

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 15 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
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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-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.