SCHEMBL6461141

SCHEMBL6461141

CN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Nc5nc6ccccc6o5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.73
ERBB2 P04626 13/20 0.73
ERBB4 Q15303 13/20 0.73
IGF1R P08069 12/20 0.73
ERBB3 P21860 12/20 0.73
TEK Q02763 4/20 0.62
SRC P12931 4/20 0.62
LCK P06239 3/20 0.62
HCK P08631 3/20 0.62
KDR P35968 2/20 0.62
PLK4 O00444 1/20 0.62
DCLK1 O15075 1/20 0.62
PDPK1 O15530 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PAK4 O96013 1/20 0.62
CHEK2 O96017 1/20 0.62
ABL1 P00519 1/20 0.62
NTRK1 P04629 1/20 0.62
INSR P06213 1/20 0.62

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
SCHEMBL6462308 1.00 EGFR (0.73) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6461130 1.00 EGFR (0.73) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6867289 0.88 EGFR (0.75) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6867295 0.88 EGFR (0.75) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6430510 0.84 EGFR (1.00) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6430512 0.84 EGFR (1.00) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6431591 0.84 EGFR (1.00) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6458812 0.84 SRC (0.64) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6458819 0.84 SRC (0.64) EGFRERBB2ERBB4IGF1RERBB3
SCHEMBL6460260 0.84 SRC (0.64) EGFRERBB2ERBB4IGF1RERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN EGFR 818/4885ERBB2 894/4885ERBB4 835/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI EGFR 457/4885ERBB2 341/4885ERBB4 444/4885

“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.