SCHEMBL1706773

SCHEMBL1706773

C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.97
NUAK1 O60285 2/20 0.97
NUAK2 Q9H093 2/20 0.97
JAK2 O60674 2/20 0.97
BLK P51451 2/20 0.97
BMX P51813 2/20 0.97
JAK3 P52333 2/20 0.97
CTSC P53634 2/20 0.97
PLK4 O00444 1/20 0.97
GAK O14976 1/20 0.97
FLT3 P36888 1/20 0.97
PTK2 Q05397 1/20 0.97
BTK Q06187 1/20 0.97
ITK Q08881 1/20 0.97
ERBB4 Q15303 1/20 0.97
DCLK3 Q9C098 1/20 0.97
EML4 Q9HC35 1/20 0.97
EIF2AK4 Q9P2K8 1/20 0.97
ALK Q9UM73 1/20 0.97

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
SCHEMBL29733655 0.99 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL29354966 0.99 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL93699 0.99 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL10127856 0.93 EGFR (0.88) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL9945457 0.92 EGFR (0.91) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL9945476 0.92 EGFR (0.88) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL4176137 0.92 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL10128056 0.92 EGFR (0.87) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL19705782 0.92 EGFR (0.87) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL4164770 0.91 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440559-B1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2018-01-10 EP disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885NUAK1 2357/4885NUAK2 1994/4885

“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.