SCHEMBL21099604

SCHEMBL21099604

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)nc2ccsc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.59
INSR P06213 5/20 0.59
IGF1R P08069 5/20 0.59
PTK2 Q05397 6/20 0.58
PLK1 P53350 7/20 0.57
FGFR1 P11362 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
DCLK1 O15075 1/20 0.56
PDPK1 O15530 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56
PAK4 O96013 1/20 0.56
CHEK2 O96017 1/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56

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
SCHEMBL19867298 0.96 ALK (0.65) ALKINSRIGF1RPTK2PLK1
SCHEMBL21099441 0.93 PLK1 (0.62) ALKINSRIGF1RPTK2PLK1
SCHEMBL19867299 0.91 PTK2 (0.62) ALKINSRIGF1RPTK2PLK1
SCHEMBL19867318 0.90 ALK (0.63) ALKINSRIGF1RPTK2PLK1
SCHEMBL21099882 0.88 ALK (0.66) ALKINSRIGF1RPTK2PLK1
SCHEMBL21099568 0.87 ALK (0.72) ALKINSRIGF1RPTK2PLK1
SCHEMBL19867228 0.86 ALK (0.70) ALKINSRIGF1RPTK2PLK1
SCHEMBL21099673 0.85 PTK2 (0.57) ALKINSRIGF1RPTK2PLK1
SCHEMBL13395513 0.85 ALK (0.66) ALKINSRIGF1RPTK2PLK1
SCHEMBL22170292 0.85 EGFR (0.72) ALKINSRIGF1REGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 US disclosed
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2020-07-02 US disclosed
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2019-07-11 US disclosed
EP-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 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 (3 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-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885INSR 2213/4885IGF1R 975/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885INSR 2213/4885IGF1R 975/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 ALK 1/4885INSR 2213/4885IGF1R 975/4885

“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.