SCHEMBL21099508

SCHEMBL21099508

COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc2ccsc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.54
ALK Q9UM73 6/20 0.52
INSR P06213 4/20 0.52
IGF1R P08069 4/20 0.52
EGFR P00533 4/20 0.51
JAK2 O60674 1/20 0.48
BRD4 O60885 1/20 0.48
BTK Q06187 2/20 0.47
FLT3 P36888 1/20 0.47
PLK1 P53350 3/20 0.47
PTK2 Q05397 1/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL19867302 0.91 IRAK4 (0.59) IRAK4ALKEGFRJAK2BRD4
SCHEMBL21099621 0.91 IRAK4 (0.54) IRAK4ALKINSRIGF1REGFR
SCHEMBL21099882 0.89 ALK (0.66) ALKINSRIGF1REGFRJAK2
SCHEMBL21099441 0.86 PLK1 (0.62) ALKINSRIGF1REGFRPLK1
SCHEMBL21099506 0.85 IRAK4 (0.53) IRAK4ALKINSRIGF1REGFR
SCHEMBL19867214 0.82 PTK2 (0.59) IRAK4INSRIGF1REGFRJAK2
SCHEMBL21099503 0.82 ALK (0.60) ALKINSRIGF1REGFRPLK1
SCHEMBL19867298 0.82 ALK (0.65) IRAK4ALKINSRIGF1REGFR
SCHEMBL21150115 0.82 ALK (0.63) IRAK4ALKINSRIGF1REGFR
SCHEMBL19867294 0.81 IRAK4 (0.59) IRAK4INSRIGF1REGFRBTK

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 IRAK4 701/4885ALK 1/4885INSR 2213/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 IRAK4 701/4885ALK 1/4885INSR 2213/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 IRAK4 701/4885ALK 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.