SCHEMBL2997413

SCHEMBL2997413

C=CS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 2/20 0.63
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TNK2 Q07912 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59

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
SCHEMBL2986366 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2993977 0.81 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL30115366 0.78 EGFR (1.00) EGFRERBB2
SCHEMBL2992732 0.78 EGFR (1.00) EGFRERBB2
SCHEMBL2996888 0.77 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2998213 0.77 EGFR (0.62) EGFRERBB2
SCHEMBL2998215 0.77 EGFR (0.62) EGFRERBB2
SCHEMBL6837615 0.77 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2764474 0.77 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2988440 0.77 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2

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
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO 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 183/4885MEN1 4876/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885ERBB2 23/4885MEN1 4827/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885MEN1 4018/4885

“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.