SCHEMBL23979680

SCHEMBL23979680

CSc1nc(Cl)c(CCNC(=O)OC(C)(C)C)c(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ GFER P55789 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NQO2 P16083 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL24373446 0.92 HTT (0.49) HTTLMNAHPGDGAANPSR1
SCHEMBL31599943 0.76 STK17B (0.46) HTTLMNAHPGDGAANPSR1
SCHEMBL31600954 0.76 STK17B (0.46) HTTLMNAHPGDGAANPSR1
SCHEMBL17576125 0.75 STK17B (0.45) HTTLMNAHPGDGAANPSR1
SCHEMBL31124368 0.72 HTT (0.50) HTTLMNAHPGDGAANPSR1
SCHEMBL31600640 0.72 LMNA (0.41) HTTLMNAHPGDGAANPSR1
SCHEMBL4666845 0.71 HTT (0.46) HTTLMNAHPGDGAANPSR1
SCHEMBL17576120 0.71 HTT (0.43) HTTLMNAGAASTK17BSTK17A
SCHEMBL18675207 0.71 HTT (0.43) HTTLMNAGAANPSR1STK17B
SCHEMBL15489572 0.70 ATR (0.45) HTTLMNAHPGDGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 — — US disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — WO disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 — — 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 (1 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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC HTT 2143/4885LMNA 2007/4885HPGD 198/4885

“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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