SCHEMBL21099441

SCHEMBL21099441

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.62
ALK Q9UM73 8/20 0.60
INSR P06213 6/20 0.60
IGF1R P08069 6/20 0.60
PTK2 Q05397 1/20 0.55
EGFR P00533 1/20 0.54

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
SCHEMBL21099882 0.95 ALK (0.66) PLK1ALKINSRIGF1RPTK2
SCHEMBL21099604 0.93 ALK (0.59) PLK1ALKINSRIGF1RPTK2
SCHEMBL21099503 0.91 ALK (0.60) PLK1ALKINSRIGF1RPTK2
SCHEMBL19867318 0.88 ALK (0.63) PLK1ALKINSRIGF1RPTK2
SCHEMBL19867298 0.88 ALK (0.65) PLK1ALKINSRIGF1RPTK2
SCHEMBL19867228 0.87 ALK (0.70) PLK1ALKINSRIGF1RPTK2
SCHEMBL21150096 0.87 PLK1 (0.59) PLK1ALKINSRIGF1RPTK2
SCHEMBL22170292 0.87 EGFR (0.72) ALKINSRIGF1REGFR
SCHEMBL21099568 0.87 ALK (0.72) PLK1ALKINSRIGF1RPTK2
SCHEMBL21099579 0.86 ALK (0.59) PLK1ALKINSRIGF1RPTK2

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 PLK1 595/4885ALK 1/4885INSR 2213/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 PLK1 595/4885ALK 1/4885INSR 2213/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 PLK1 595/4885ALK 1/4885INSR 2213/4885

“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.