SCHEMBL10128094

SCHEMBL10128094

C=CC(=O)Nc1cccc(Oc2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.77
EGFR P00533 10/20 0.77
JAK3 P52333 3/20 0.77
JAK2 O60674 2/20 0.77
FLT3 P36888 2/20 0.77
BLK P51451 2/20 0.77
BTK Q06187 2/20 0.77
ITK Q08881 2/20 0.77
PLK4 O00444 1/20 0.77
GAK O14976 1/20 0.77
NUAK1 O60285 1/20 0.77
BMX P51813 1/20 0.77
PTK2 Q05397 1/20 0.77
ERBB4 Q15303 1/20 0.77
DCLK3 Q9C098 1/20 0.77
NUAK2 Q9H093 1/20 0.77
EML4 Q9HC35 1/20 0.77
EIF2AK4 Q9P2K8 1/20 0.77
ALK Q9UM73 1/20 0.77
JAK1 P23458 1/20 0.65

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
SCHEMBL12396391 0.90 CTSC (0.64) CTSCEGFRJAK3JAK2FLT3
SCHEMBL93699 0.87 EGFR (1.00) CTSCEGFRJAK3JAK2FLT3
SCHEMBL29733655 0.87 EGFR (1.00) CTSCEGFRJAK3JAK2FLT3
SCHEMBL29354966 0.87 EGFR (1.00) CTSCEGFRJAK3JAK2FLT3
SCHEMBL23243741 0.87 CTSC (1.00) CTSCEGFRJAK3JAK2FLT3
SCHEMBL1706773 0.85 EGFR (0.97) CTSCEGFRJAK3JAK2FLT3
SCHEMBL23243723 0.85 CTSC (1.00) CTSCEGFRJAK3JAK2FLT3
SCHEMBL12371102 0.84 EGFR (0.60) CTSCEGFRJAK3JAK2FLT3
SCHEMBL10128096 0.83 EGFR (0.54) CTSCEGFRJAK3JAK2FLT3
SCHEMBL10128004 0.83 CTSC (0.73) CTSCEGFRJAK3JAK2FLT3

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-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
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 (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 CTSC 1415/4885EGFR 1/4885JAK3 37/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 CTSC 1415/4885EGFR 1/4885JAK3 37/4885

“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.