SCHEMBL18181663

SCHEMBL18181663

COc1ccccc1-c1c(C)sc2cnc(Nc3cc(C)c(C4CCNCC4)cc3OC(C)C)nc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.79
▸ INSR P06213 3/20 0.56
▸ PLK4 O00444 1/20 0.54
▸ BUB1B O60566 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ NPM1 P06748 1/20 0.54
▸ FES P07332 1/20 0.54
▸ LYN P07948 1/20 0.54
▸ RET P07949 1/20 0.54
▸ IGF1R P08069 1/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ MET P08581 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ FGR P09769 1/20 0.54
▸ KIT P10721 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
SCHEMBL19895210 0.94 ALK (0.69) ALKINSRPLK4BUB1BJAK2
SCHEMBL18181693 0.88 ALK (1.00) ALKINSREGFRKCNH2
SCHEMBL18181656 0.86 ALK (0.71) ALKINSRPLK4BUB1BJAK2
SCHEMBL18181791 0.84 ALK (0.82) ALKINSRKCNH2
SCHEMBL18181711 0.83 ALK (1.00) ALKEGFRMETPTK2
SCHEMBL19895182 0.83 ALK (0.87) ALKINSREGFRKCNH2
SCHEMBL20127245 0.82 ALK (0.64) ALK
SCHEMBL15283378 0.80 ALK (0.80) ALKINSRKCNH2
SCHEMBL18181622 0.79 ALK (1.00) ALK
SCHEMBL18181733 0.79 ALK (0.74) ALKPTK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177332-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-06-13 — — US disclosed
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-04-16 — — US disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 — — US disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 — — US disclosed
EP-3287463-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2018-02-28 — — EP disclosed
WO-2016169504-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF 广州再极医药科技有限公司 2016-10-27 — — WO 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-20190177332-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF WEE1, PDK1, WEE2 ALK 645/4885INSR 149/4885PLK4 163/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK ALK 770/4885INSR 140/4885PLK4 153/4885
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof WEE1, PDK1, WEE2 ALK 645/4885INSR 149/4885PLK4 163/4885

“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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