SCHEMBL21100262

SCHEMBL21100262

CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2ccsc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.57
▸ CCNK O75909 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CCND3 P30281 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CDK6 Q00534 1/20 0.54
▸ PTK2 Q05397 7/20 0.50
▸ JAK2 O60674 3/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ EGFR P00533 4/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ JAK3 P52333 2/20 0.46
▸ ABCB11 O95342 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44

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
SCHEMBL19867185 0.88 ALK (0.63) ALKCDK2PTK2JAK2BRD4
SCHEMBL21099812 0.87 CCND3 (0.54) ALKCCNKCCNA2CDK2CCND3
SCHEMBL19867212 0.85 ALK (0.61) ALKPTK2JAK2BRD4EGFR
SCHEMBL21100192 0.85 ALK (0.65) ALKCDK2PTK2JAK2BRD4
SCHEMBL28881275 0.83 CCNK (0.77) ALKCCNKCCNA2CDK2CCND3
SCHEMBL19867326 0.82 ALK (0.52) ALKPTK2JAK2BRD4IRAK4
SCHEMBL21150115 0.82 ALK (0.63) ALKCDK2CDK9PTK2JAK2
SCHEMBL19867369 0.78 ALK (0.60) ALKCCNKCDK2CCND3CDK9
SCHEMBL19867368 0.77 PDE5A (0.56) ALKPTK2JAK2BRD4AXL
SCHEMBL19867189 0.77 ALK (0.84) ALKCDK2PTK2JAK2EGFR

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 1/4885CCNK 271/4885CCNA2 1081/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885CCNK 271/4885CCNA2 1081/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 ALK 1/4885CCNK 271/4885CCNA2 1081/4885

“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.

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