SCHEMBL18181792

SCHEMBL18181792

COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3OC(C)C)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 1.00
▸ INSR P06213 1/20 0.51
▸ NPM1 P06748 1/20 0.51

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
SCHEMBL18181723 0.96 ALK (0.92) ALKINSRNPM1
SCHEMBL15283522 0.92 ALK (0.84) ALKINSRNPM1
SCHEMBL18181791 0.90 ALK (0.82) ALKINSR
SCHEMBL18181736 0.88 ALK (0.78) ALK
SCHEMBL18181615 0.87 ALK (0.77) ALKINSRNPM1
SCHEMBL18181703 0.86 ALK (0.75) ALKINSRNPM1
SCHEMBL19920468 0.85 ALK (0.74) ALKINSRNPM1
SCHEMBL18181629 0.85 ALK (0.74) ALKINSRNPM1
SCHEMBL18181693 0.84 ALK (1.00) ALKINSR
SCHEMBL18181788 0.82 ALK (0.69) ALKINSRNPM1

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 5 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
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.

Send feedback