SCHEMBL6433545

SCHEMBL6433545

CN1CCN(C2CCC(n3nc(-c4ccc(Nc5nc6cc(Cl)cc(Cl)c6o5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
IGF1R P08069 19/20 1.00
ERBB2 P04626 18/20 1.00
ERBB3 P21860 18/20 1.00
ERBB4 Q15303 18/20 1.00
LCK P06239 2/20 0.65
SRC P12931 2/20 0.65
KDR P35968 2/20 0.65
TEK Q02763 1/20 0.65
PLK4 O00444 1/20 0.64
IKBKB O14920 1/20 0.64
AURKA O14965 1/20 0.64
MAPK13 O15264 1/20 0.64
PDPK1 O15530 1/20 0.64
DAPK3 O43293 1/20 0.64
JAK2 O60674 1/20 0.64
ROCK2 O75116 1/20 0.64
PAK4 O96013 1/20 0.64
CHEK2 O96017 1/20 0.64
ABL1 P00519 1/20 0.64

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
SCHEMBL6433553 1.00 EGFR (1.00) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL5801190 0.91 EGFR (1.00) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6433597 0.91 EGFR (1.00) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6432234 0.90 EGFR (0.82) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6432226 0.90 EGFR (0.82) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6430837 0.88 EGFR (0.86) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6430835 0.88 EGFR (0.86) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6435385 0.85 EGFR (0.85) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6435381 0.85 EGFR (0.85) EGFRIGF1RERBB2ERBB3ERBB4
SCHEMBL6107490 0.84 EGFR (0.73) EGFRIGF1RERBB2ERBB3ERBB4

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-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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP 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 (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 818/4885IGF1R 4007/4885ERBB2 894/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885IGF1R 2189/4885ERBB2 529/4885

“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.