SCHEMBL2998449

SCHEMBL2998449

CN(C)Nc1ccc2ncncc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.68
AR P10275 1/20 0.48
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
FGFR4 P22455 1/20 0.40
BRAF P15056 2/20 0.40
IMPDH2 P12268 2/20 0.38
TDO2 P48775 1/20 0.37
NOTUM Q6P988 1/20 0.36
BAZ1A Q9NRL2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4481815 0.81 EGFR (1.00) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL24783500 0.77 EGFR (0.69) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL28041954 0.77 EGFR (0.69) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL17198305 0.77 EGFR (0.63) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL16368637 0.77 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL21646348 0.77 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL24782968 0.77 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL23055235 0.77 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
Hydrochloric Acid SCHEMBL25267663 0.76 EGFR (0.67) EGFRARPIK3CDPIK3CAFGFR4
Benzene SCHEMBL28800798 0.75 EGFR (0.65) EGFRARPIK3CDPIK3CAFGFR4

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 11 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
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
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
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
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 CN 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 26/4885AR 412/4885PIK3CD 684/4885

“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.