SCHEMBL5463111

SCHEMBL5463111

Oc1ncc2ccsc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.33
LTK P29376 2/20 0.33
TYRO3 Q06418 2/20 0.33
NTRK2 Q16620 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL18671569 0.74 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL29994236 0.74 NTRK1 (0.41) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL1160659 0.74 NTRK1 (0.41) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL857548 0.74 CLK4 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL743402 0.74 MAPK1 (0.39) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL2369332 0.74 EGLN2 (0.31) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5464684 0.72 DHODH (0.38) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL20271932 0.71 MEN1 (0.36) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL20631751 0.71 HRH1 (0.30)
Hydrochloric Acid SCHEMBL27786826 0.70 MEN1 (0.35) NTRK1LTKTYRO3NTRK2CLK4

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP 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 (4 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 NTRK1 242/4885LTK 135/4885TYRO3 39/4885
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH NTRK1 3795/4885LTK 1607/4885TYRO3 1700/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 NTRK1 210/4885LTK 120/4885TYRO3 33/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 NTRK1 242/4885LTK 135/4885TYRO3 39/4885

“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.