SCHEMBL10127853

SCHEMBL10127853

CN(C)C/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.81
JAK3 P52333 3/20 0.77
JAK2 O60674 2/20 0.77
BLK P51451 2/20 0.77
BMX P51813 2/20 0.77
CTSC P53634 3/20 0.62
NUAK1 O60285 2/20 0.62
FLT3 P36888 2/20 0.62
NUAK2 Q9H093 2/20 0.62
BTK Q06187 2/20 0.62
PLK4 O00444 1/20 0.62
GAK O14976 1/20 0.62
PTK2 Q05397 1/20 0.62
ITK Q08881 1/20 0.62
ERBB4 Q15303 1/20 0.62
DCLK3 Q9C098 1/20 0.62
EML4 Q9HC35 1/20 0.62
EIF2AK4 Q9P2K8 1/20 0.62
ALK Q9UM73 1/20 0.62
MAP3K7 O43318 2/20 0.59

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
SCHEMBL93510 0.87 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL29351880 0.87 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL30854720 0.87 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL14914367 0.86 EGFR (0.77) EGFRJAK3JAK2BLKBMX
SCHEMBL14914365 0.86 EGFR (0.77) EGFRJAK3JAK2BLKBMX
SCHEMBL20443879 0.84 EGFR (0.64) EGFRJAK3JAK2BLKBMX
SCHEMBL10127964 0.84 EGFR (0.88) EGFRJAK3JAK2BLKBMX
SCHEMBL16207041 0.80 EGFR (0.82) EGFRJAK3JAK2BLKBMX
SCHEMBL16195662 0.80 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL16195663 0.80 EGFR (1.00) EGFRJAK3JAK2BLKBMX

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-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 37/4885JAK2 14/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 37/4885JAK2 14/4885

“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.