SCHEMBL18181702

SCHEMBL18181702

COc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.70
▸ EGFR P00533 8/20 0.55
▸ IGF1R P08069 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ NPM1 P06748 2/20 0.54
▸ MET P08581 1/20 0.53
▸ INSR P06213 1/20 0.52

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
SCHEMBL29846483 1.00 ALK (0.70) ALKEGFRIGF1RKCNH2NPM1
SCHEMBL18181786 0.83 ALK (0.66) ALKEGFRIGF1RKCNH2NPM1
SCHEMBL18181661 0.82 ALK (1.00) ALKEGFRMET
SCHEMBL18181711 0.79 ALK (1.00) ALKEGFRMET
SCHEMBL520365 0.77 ALK (0.80) ALKKCNH2NPM1INSR
SCHEMBL18181693 0.75 ALK (1.00) ALKEGFRKCNH2INSR
SCHEMBL18181745 0.75 ALK (0.74) ALKEGFRMET
SCHEMBL2354282 0.73 IGF1R (0.74) ALKEGFRIGF1RKCNH2MET
SCHEMBL19920273 0.73 ALK (0.72) ALKEGFRMET
SCHEMBL30957984 0.73 EGFR (0.63) ALKEGFRIGF1RKCNH2NPM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440189-B Fused ring pyrimidine amino derivative, preparation method, intermediate, pharmaceutical composition and application thereof 广州再极医药科技有限公司 2022-08-09 — — CN disclosed
CN-110078741-B Fused ring pyrimidine amino derivative, preparation method, intermediate, pharmaceutical composition and application thereof 广州再极医药科技有限公司 2021-10-01 — — CN disclosed
CN-106220644-B Fused ring pyrimidine amino derivative, preparation method, intermediate, pharmaceutical composition and application thereof 广州再极医药科技有限公司 2020-07-31 — — CN disclosed
CN-111440189-A Fused ring pyrimidine amino derivative, preparation method, intermediate, pharmaceutical composition and application thereof 广州再极医药科技有限公司 2020-07-24 — — CN disclosed
US-10611770-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2020-04-07 — — US disclosed
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-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-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
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
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 (4 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 645/4885EGFR 1865/4885IGF1R 359/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK ALK 770/4885EGFR 2106/4885IGF1R 342/4885
US-10611770-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof WEE1, PDK1, WEE2 ALK 645/4885EGFR 1865/4885IGF1R 359/4885
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof WEE1, PDK1, WEE2 ALK 645/4885EGFR 1865/4885IGF1R 359/4885

“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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