SCHEMBL21099488

SCHEMBL21099488

CCOc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2sccc2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.73
▸ TTK P33981 5/20 0.63
▸ FES P07332 3/20 0.61
▸ FLT3 P36888 3/20 0.61
▸ INSR P06213 4/20 0.57
▸ GAK O14976 3/20 0.57
▸ IGF1R P08069 3/20 0.57
▸ LTK P29376 3/20 0.57
▸ PTK2 Q05397 3/20 0.57
▸ TNK2 Q07912 3/20 0.57
▸ TNK1 Q13470 3/20 0.57
▸ PTK2B Q14289 3/20 0.57
▸ FGFR1 P11362 2/20 0.57
▸ FGFR2 P21802 2/20 0.57
▸ FGFR4 P22455 2/20 0.57
▸ FGFR3 P22607 2/20 0.57
▸ BMPR1B O00238 2/20 0.57
▸ PLK4 O00444 2/20 0.57
▸ ERN1 O75460 2/20 0.57
▸ STK10 O94804 2/20 0.57

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
SCHEMBL19867365 0.93 ALK (0.84) ALKTTKFESFLT3INSR
SCHEMBL21099660 0.92 ALK (0.76) ALKTTKFESFLT3INSR
SCHEMBL19867338 0.92 ALK (0.71) ALKTTKFESFLT3INSR
SCHEMBL19921113 0.86 TTK (0.63) ALKTTKFESFLT3INSR
SCHEMBL21099489 0.86 ALK (0.54) ALKTTKFESFLT3INSR
SCHEMBL19867189 0.85 ALK (0.84) ALKTTKFESFLT3INSR
SCHEMBL21100192 0.85 ALK (0.65) ALKTTKFESFLT3INSR
SCHEMBL18018799 0.84 TTK (0.70) ALKTTKFESFLT3INSR
SCHEMBL19867265 0.84 ALK (1.00) ALKTTKFESFLT3INSR
SCHEMBL21150935 0.84 ALK (0.82) ALKTTKFESFLT3INSR

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 1/4885TTK 224/4885FES 80/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885TTK 224/4885FES 80/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 ALK 1/4885TTK 224/4885FES 80/4885

“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.

Send feedback