SCHEMBL4820543

SCHEMBL4820543

CNC(C)(C)C(=O)N1CCC(n2nc(-c3ccc(Nc4nc5ccccc5o4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.69
ERBB2 P04626 13/20 0.69
IGF1R P08069 13/20 0.69
ERBB3 P21860 13/20 0.69
ERBB4 Q15303 13/20 0.69
BTK Q06187 5/20 0.53
LCK P06239 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49

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
SCHEMBL4826510 0.92 EGFR (0.57) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL4826042 0.91 EGFR (0.57) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL4826144 0.90 EGFR (0.58) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL7045402 0.87 EGFR (0.55) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL7047600 0.85 EGFR (0.52) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL14268429 0.84 EGFR (0.79) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6222127 0.83 EGFR (0.79) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6222131 0.83 EGFR (0.79) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL4818658 0.82 EGFR (0.62) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431591 0.82 EGFR (1.00) EGFRERBB2IGF1RERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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 (3 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 894/4885IGF1R 4007/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 EGFR 1992/4885ERBB2 682/4885IGF1R 1680/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885ERBB2 529/4885IGF1R 2189/4885

“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.