SCHEMBL10128034

SCHEMBL10128034

C=CC(=O)Nc1cccc(Nc2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.66
JAK3 P52333 8/20 0.64
ERBB4 Q15303 2/20 0.62
ERBB2 P04626 1/20 0.62
ERBB3 P21860 1/20 0.62
BTK Q06187 5/20 0.61
JAK2 O60674 2/20 0.59
FLT3 P36888 2/20 0.59
BLK P51451 2/20 0.59
ITK Q08881 2/20 0.59
JAK1 P23458 1/20 0.59
TTK P33981 1/20 0.59
TXK P42681 1/20 0.59
PLK4 O00444 1/20 0.57
GAK O14976 1/20 0.57
NUAK1 O60285 1/20 0.57
BMX P51813 1/20 0.57
CTSC P53634 1/20 0.57
PTK2 Q05397 1/20 0.57
DCLK3 Q9C098 1/20 0.57

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
SCHEMBL10127973 0.89 EGFR (0.72) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128033 0.88 EGFR (0.80) EGFRJAK3ERBB4ERBB2ERBB3
SCHEMBL10128048 0.84 EGFR (0.59) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128042 0.83 EGFR (0.86) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128071 0.83 EGFR (0.68) EGFRJAK3ERBB4BTKJAK2
SCHEMBL18778502 0.83 EGFR (0.81) EGFRJAK3BTKITK
SCHEMBL10128096 0.83 EGFR (0.54) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128148 0.82 EGFR (0.69) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128068 0.81 JAK3 (0.51) EGFRJAK3ERBB4BTKJAK2
SCHEMBL10128043 0.81 EGFR (0.58) EGFRJAK3ERBB4BTKJAK2

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 37/4885ERBB4 3/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 37/4885ERBB4 3/4885

“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.