SCHEMBL18181772

SCHEMBL18181772

COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2scc(-c3ccnn3C)c2n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.60
▸ INSR P06213 1/20 0.46
▸ NPM1 P06748 1/20 0.46
▸ PTK2 Q05397 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ IGF1R P08069 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL18181707 0.85 ALK (0.66) ALKINSRNPM1PTK2EGFR
SCHEMBL18181626 0.85 ALK (0.61) ALKINSRNPM1PTK2EGFR
SCHEMBL29846365 0.84 ALK (0.64) ALKPTK2EGFRIGF1RKCNH2
SCHEMBL18181701 0.84 ALK (0.64) ALKPTK2EGFRIGF1RKCNH2
SCHEMBL18181694 0.82 ALK (0.73) ALKINSRNPM1PTK2EGFR
SCHEMBL18181723 0.78 ALK (0.92) ALKINSRNPM1PTK2EGFR
SCHEMBL18181786 0.77 ALK (0.66) ALKINSRNPM1PTK2EGFR
SCHEMBL18181788 0.77 ALK (0.69) ALKINSRNPM1PTK2EGFR
SCHEMBL18181792 0.75 ALK (1.00) ALKINSRNPM1
SCHEMBL14648858 0.75 ALK (0.65) ALKPTK2EGFR

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 149/4885NPM1 3334/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK ALK 770/4885INSR 140/4885NPM1 3497/4885
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof WEE1, PDK1, WEE2 ALK 645/4885INSR 149/4885NPM1 3334/4885

“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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