SCHEMBL23022504

SCHEMBL23022504

CN1CCC2(CC1)COC[C@H]2N[S+]([O-])C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.40

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
SCHEMBL23022465 1.00 PTPN11 (0.40) PTPN11
SCHEMBL29308994 0.84 PTPN11 (0.36) PTPN11
SCHEMBL22799125 0.83 PTPN11 (0.41) PTPN11
SCHEMBL21631388 0.83 PTPN11 (0.41) PTPN11
SCHEMBL20944889 0.81 PTPN11 (0.37) PTPN11
SCHEMBL16925303 0.81 PTPN11 (0.37) PTPN11
SCHEMBL20944888 0.81 PTPN11 (0.37) PTPN11
SCHEMBL29715680 0.81 PTPN11 (0.37) PTPN11
SCHEMBL28696281 0.81 PTPN11 (0.37) PTPN11
SCHEMBL20337474 0.79 USP2 (0.41) PTPN11

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 2 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

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 PTPN11 1/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF PTPN11 1/4885

“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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