SCHEMBL6975873

SCHEMBL6975873

CC(C)c1nc2ccc(F)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.52
TNKS O95271 6/20 0.52
TNKS2 Q9H2K2 6/20 0.52
PARG Q86W56 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
TYMS P04818 2/20 0.48

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
SCHEMBL3824757 0.88 PARP1 (0.50) PARP1TNKSTNKS2PARGTUBB4A
SCHEMBL26451280 0.88 KDM4E (0.44) PARP1TNKSTNKS2PARGTYMS
SCHEMBL30176844 0.83 PARG (0.53) PARP1TNKSTNKS2PARGTUBB4A
SCHEMBL26438902 0.83 PARG (0.53) PARP1TNKSTNKS2PARGTUBB4A
SCHEMBL17786594 0.81 PARG (0.52) PARP1TNKSTNKS2PARGTYMS
SCHEMBL6978855 0.81 KDM4E (0.52) PARP1TNKSTNKS2PARGTUBB4A
SCHEMBL6979500 0.81 PARG (0.45) PARGKDM4EROCK2
SCHEMBL11376113 0.79 PARG (0.50) PARP1PARGKDM4E
SCHEMBL4369801 0.79 TYMS (0.72) PARP1TNKSTNKS2PARGTUBB4A
SCHEMBL31079885 0.78 TUBB4A (0.57) PARP1TNKSTNKS2TUBB4ATUBB

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
CN-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 CN disclosed
CN-112174899-A Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2021-01-05 CN disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PARP1 1371/4885TNKS 2301/4885TNKS2 1469/4885

“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.