SCHEMBL21099503

SCHEMBL21099503

COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC)nc2ccsc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.60
EGFR P00533 6/20 0.59
PTK2 Q05397 4/20 0.57
INSR P06213 4/20 0.57
IGF1R P08069 4/20 0.57
PLK1 P53350 3/20 0.57
MAP3K7 O43318 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 0.94 ALK (0.66) ALKEGFRPTK2INSRIGF1R
SCHEMBL19867178 0.92 ALK (0.52) ALKEGFRPTK2INSRIGF1R
SCHEMBL19867299 0.92 PTK2 (0.62) ALKEGFRPTK2INSRIGF1R
SCHEMBL21099441 0.91 PLK1 (0.62) ALKEGFRPTK2INSRIGF1R
SCHEMBL21099570 0.91 ALK (0.61) ALKEGFRPTK2INSRIGF1R
SCHEMBL19867298 0.86 ALK (0.65) ALKEGFRPTK2INSRIGF1R
SCHEMBL19921124 0.86 ALK (0.56) ALKEGFRPTK2INSRIGF1R
SCHEMBL21099428 0.86 ALK (0.60) ALKEGFRPTK2INSRIGF1R
SCHEMBL19867341 0.85 EGFR (0.58) ALKEGFRPTK2INSRIGF1R
SCHEMBL21149595 0.85 EGFR (0.71) ALKEGFRPTK2

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 1/4885EGFR 105/4885PTK2 141/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885EGFR 105/4885PTK2 141/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 ALK 1/4885EGFR 105/4885PTK2 141/4885

“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.