SCHEMBL21099419

SCHEMBL21099419

COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2sccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.72
▸ INSR P06213 11/20 0.72
▸ NPM1 P06748 8/20 0.72
▸ KCNH2 Q12809 5/20 0.67
▸ CYP3A4 P08684 2/20 0.65
▸ ABL1 P00519 1/20 0.64
▸ EGFR P00533 1/20 0.64
▸ ERBB2 P04626 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ RET P07949 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ MET P08581 1/20 0.64
▸ PDGFRA P16234 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ AKT1 P31749 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ GSK3B P49841 1/20 0.64
▸ PLK1 P53350 1/20 0.64
▸ EPHB4 P54760 1/20 0.64
▸ BTK Q06187 1/20 0.64

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
SCHEMBL21099671 0.95 ALK (0.80) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867181 0.92 ALK (0.61) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21150888 0.87 EGFR (0.57) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19921217 0.87 ALK (0.72) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1546071 0.85 ALK (0.84) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099420 0.85 ALK (0.52) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099577 0.85 ALK (0.51) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867264 0.84 ALK (0.51) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099668 0.84 PTK2 (0.58) ALKINSRNPM1ABL1EGFR
SCHEMBL21099669 0.84 ALK (0.50) ALKINSRNPM1KCNH2CYP3A4

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 1/4885INSR 2213/4885NPM1 2700/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 ALK 1/4885INSR 2213/4885NPM1 2700/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 ALK 1/4885INSR 2213/4885NPM1 2700/4885

“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