SCHEMBL2991092

SCHEMBL2991092

C=CS(=O)(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.84
ERBB2 P04626 2/20 0.67
EPHB2 P29323 1/20 0.65
SRC P12931 3/20 0.63
LRRK2 Q5S007 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.58
FYN P06241 1/20 0.56
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
ERBB4 Q15303 1/20 0.56

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
SCHEMBL2992732 0.91 EGFR (1.00) EGFRERBB2SRCLRRK2FYN
SCHEMBL30115366 0.91 EGFR (1.00) EGFRERBB2SRCLRRK2FYN
SCHEMBL2986366 0.83 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL2996153 0.80 EGFR (1.00) EGFRERBB2EPHB2SRCFYN
SCHEMBL4185005 0.80 EGFR (0.79) EGFRERBB2SRCABCG2FYN
SCHEMBL17699749 0.78 TGM2 (0.62) EGFRSRCLRRK2
SCHEMBL12070444 0.77 LRRK2 (1.00) EGFRERBB2EPHB2SRCLRRK2
SCHEMBL2986298 0.76 EGFR (1.00) EGFRERBB2EPHB2ABCG2
SCHEMBL2997413 0.76 EGFR (1.00) EGFRERBB2
SCHEMBL4187418 0.75 EGFR (0.69) EGFRERBB2EPHB2SRCABCG2

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 23 patents — showing the first 20. 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
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN 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
CN-100503580-C Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2009-06-24 CN disclosed
CN-1923818-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2007-03-07 CN disclosed
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
CN-1495172-A Irreversible inhibitors of tyrosine kinases ��ʲ 2004-05-12 CN disclosed
CN-1145614-C Irreversible inhibitors of tyrosine kinases, their pharmaceutical use and pharmaceutical compositions ��ʲ 2004-04-14 CN disclosed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN 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
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 CN 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 (2 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-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885ERBB2 23/4885EPHB2 126/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885EPHB2 320/4885

“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.