SCHEMBL17997478

SCHEMBL17997478

CC(C)c1nn(C)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.33

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
SCHEMBL12731902 0.86
SCHEMBL26288474 0.82 CYP1A2 (0.33) PAK4
SCHEMBL15292260 0.82
SCHEMBL802214 0.82
SCHEMBL17997480 0.78
SCHEMBL12456245 0.71 PAK4 (0.35) PAK4
SCHEMBL11978470 0.71 PAK4 (0.35) PAK4
SCHEMBL23400626 0.71 ALDH1A1 (0.39)
SCHEMBL10183422 0.71 COMT (0.36)
SCHEMBL17997479 0.71 OGA (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-10517872-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-12-31 US disclosed
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-9624246-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-9624246-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-20160229871-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-08-11 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 (7 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-20160229871-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK1, IRAK3 PAK4 583/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 PAK4 1107/4885
US-10517872-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof IRAK2, IRAK1, IRAK3 PAK4 583/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PAK4 227/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS PAK4 227/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS PAK4 227/4885
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK1, IRAK3 PAK4 583/4885

“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.