SCHEMBL21287802

SCHEMBL21287802

CC(C)(C)OC(=O)NC1(C)CCCC12CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
BTK Q06187 1/20 0.30

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
SCHEMBL512537 0.78 RORC (0.37) GAACTSLMEN1MAPK1KMT2A
SCHEMBL27841938 0.78 MEN1 (0.36) GAACTSLMEN1MAPK1KMT2A
SCHEMBL21287499 0.78 KDM4E (0.34) KMT2A
Hydrochloric Acid SCHEMBL15285997 0.76 RORC (0.37) GAACTSLMEN1MAPK1KMT2A
SCHEMBL24690393 0.76 RORC (0.35) GAACTSLMEN1MAPK1KMT2A
SCHEMBL82732 0.74 MEN1 (0.37) GAACTSLMEN1MAPK1KMT2A
SCHEMBL3955815 0.74 KMT2A (0.54) GAACTSLMEN1MAPK1KMT2A
SCHEMBL740167 0.74 MEN1 (0.37) GAACTSLMEN1MAPK1KMT2A
SCHEMBL28269688 0.73 KMT2A (0.36) GAACTSLMEN1MAPK1KMT2A
SCHEMBL18424709 0.72 RORC (0.39) GAACTSLMEN1MAPK1KMT2A

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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
WO-2019158019-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海青煜医药科技有限公司 2019-08-22 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 (2 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF GAA 1464/4885CTSL 2624/4885MEN1 2450/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF GAA 1464/4885CTSL 2624/4885MEN1 2450/4885

“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.