SCHEMBL2994857

SCHEMBL2994857

COc1ccc(N(C)c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 3/20 0.58
MKNK1 Q9BUB5 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAK O14976 1/20 0.58
MAPK13 O15264 1/20 0.58
ABL1 P00519 1/20 0.58
CYP1A2 P05177 1/20 0.58
CDK1 P06493 1/20 0.58
CYP3A4 P08684 1/20 0.58
FBP1 P09467 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
SRC P12931 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
EPHB2 P29323 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDR P35968 1/20 0.58

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
SCHEMBL6837695 0.83 EGFR (1.00) EGFRERBB2MKNK1MEN1KMT2A
SCHEMBL3663489 0.80 EGFR (1.00) EGFRERBB2MKNK1KDM4EGAK
SCHEMBL6833292 0.79 EGFR (1.00) EGFRERBB2MKNK1KDM4EGAK
SCHEMBL2994863 0.78 EGFR (1.00) EGFRERBB2MKNK1MEN1KMT2A
SCHEMBL7975378 0.77 EGFR (1.00) EGFR
SCHEMBL2990411 0.74 EGFR (1.00) EGFRERBB2SRCERBB4
SCHEMBL6833322 0.74 EGFR (1.00) EGFR
SCHEMBL29444884 0.74 EGFR (1.00) EGFRERBB2MKNK1KDM4EGAK
SCHEMBL30363011 0.74 EGFR (1.00) EGFRERBB2MKNK1KDM4EGAK
SCHEMBL9423 0.74 EGFR (1.00) EGFRERBB2MKNK1KDM4EGAK

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 6 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

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 26/4885ERBB2 1/4885MKNK1 196/4885

“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.