SCHEMBL1707033

SCHEMBL1707033

CC(=O)N(C)c1ccc(Nc2nc(NC3CCCNC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.52
AURKB Q96GD4 3/20 0.47
PTK2 Q05397 3/20 0.47
JAK3 P52333 2/20 0.47
BTK Q06187 2/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL1706088 0.91 SYK (0.56) SYKAURKBPTK2JAK3BTK
SCHEMBL1223740 0.91 SYK (0.60) SYKAURKBPTK2JAK3BTK
Hydrochloric Acid SCHEMBL6313415 0.90 SYK (0.59) SYKAURKBPTK2JAK3BTK
SCHEMBL31747057 0.77 ADORA3 (0.74) SYKAURKBPTK2JAK3BTK
Hydrochloric Acid SCHEMBL29369317 0.76 ADORA3 (0.72) SYKAURKBPTK2JAK3BTK
SCHEMBL18018864 0.75 BTK (0.54) SYKAURKBPTK2JAK3BTK
SCHEMBL12085334 0.75 JAK3 (0.63) SYKJAK3BTKPAK4
SCHEMBL2122034 0.74 JAK3 (0.63) SYKJAK3BTK
SCHEMBL10127675 0.74 SYK (0.52) SYKPTK2JAK3BTK
SCHEMBL20776833 0.74 BTK (0.51) SYKPTK2BTKIGF1RADORA3

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
EP-2440559-B1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2018-01-10 EP disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP 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 SYK 542/4885AURKB 773/4885PTK2 226/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 SYK 542/4885AURKB 773/4885PTK2 226/4885

“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.