SCHEMBL2993977

SCHEMBL2993977

O=S(=O)(CCO)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
MEN1 O00255 1/20 0.57
ERBB2 P04626 1/20 0.57
KMT2A Q03164 1/20 0.57
TNK2 Q07912 1/20 0.57
MKNK1 Q9BUB5 1/20 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
SCHEMBL2997413 0.81 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL7978682 0.78 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL2989630 0.77 EGFR (0.66) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL7975376 0.76 EGFR (0.88) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL7975378 0.75 EGFR (1.00) EGFR
SCHEMBL6837615 0.75 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL2988440 0.75 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL2764474 0.75 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL12891256 0.74 EGFR (0.70) EGFRERBB2MKNK1
SCHEMBL2763594 0.73 EGFR (0.82) EGFRMEN1ERBB2KMT2ATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885MEN1 4018/4885ERBB2 1/4885

“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.