SCHEMBL10128033

SCHEMBL10128033

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(C)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.80
ERBB2 P04626 1/20 0.68
ERBB3 P21860 1/20 0.68
ERBB4 Q15303 1/20 0.68
JAK3 P52333 3/20 0.67
JAK2 O60674 1/20 0.64
JAK1 P23458 1/20 0.64
TTK P33981 1/20 0.64
FLT3 P36888 1/20 0.64
TXK P42681 1/20 0.64
BLK P51451 1/20 0.64
BTK Q06187 1/20 0.64
ITK Q08881 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
SCHEMBL18778502 0.92 EGFR (0.81) EGFRJAK3BTKITK
SCHEMBL17197333 0.89 EGFR (1.00) EGFRERBB2ERBB3ERBB4JAK3
SCHEMBL10127950 0.88 EGFR (0.78) EGFRERBB4JAK3JAK2FLT3
SCHEMBL10128034 0.88 EGFR (0.66) EGFRERBB2ERBB3ERBB4JAK3
SCHEMBL10128042 0.88 EGFR (0.86) EGFRERBB4JAK3JAK2JAK1
SCHEMBL12518488 0.85 EGFR (0.77) EGFRERBB4JAK3JAK2JAK1
SCHEMBL18778474 0.84 EGFR (0.82) EGFRERBB2ERBB3ERBB4JAK3
SCHEMBL5584209 0.84 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL10128014 0.84 EGFR (0.64) EGFRERBB4JAK3JAK2FLT3
SCHEMBL18778464 0.83 EGFR (0.69) EGFRJAK3BTKITK

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 1/4885ERBB2 2/4885ERBB3 4/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885ERBB2 2/4885ERBB3 4/4885

“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.