SCHEMBL10128008

SCHEMBL10128008

C=CC(=O)Nc1cccc(Oc2cc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC)nc3[nH]ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.51
EGFR P00533 7/20 0.51
JAK3 P52333 4/20 0.51
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
BTK Q06187 3/20 0.51
KCNH2 Q12809 1/20 0.51
INSR P06213 2/20 0.48
NPM1 P06748 2/20 0.48
ALK Q9UM73 2/20 0.48
LRRK2 Q5S007 1/20 0.48

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
SCHEMBL10128188 0.91 INSR (0.46) CTSCEGFRJAK3JAK2JAK1
SCHEMBL10128001 0.88 EGFR (0.64) CTSCEGFRJAK3JAK2JAK1
SCHEMBL10128004 0.84 CTSC (0.73) CTSCEGFRJAK3JAK2JAK1
SCHEMBL10128096 0.84 EGFR (0.54) CTSCEGFRJAK3JAK2BTK
SCHEMBL10128087 0.81 CTSC (0.51) CTSCEGFRJAK3JAK2BTK
SCHEMBL10128085 0.80 EGFR (0.53) CTSCEGFRJAK3JAK2JAK1
SCHEMBL10128182 0.79 EGFR (0.53) CTSCEGFRJAK3JAK2JAK1
SCHEMBL10128071 0.79 EGFR (0.68) CTSCEGFRJAK3JAK2BTK
SCHEMBL10127973 0.79 EGFR (0.72) CTSCEGFRJAK3JAK2BTK
SCHEMBL12398401 0.78 EGFR (0.49) CTSCEGFRJAK3JAK2BTK

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.