SCHEMBL24127729

SCHEMBL24127729

Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)nc(N3CCC(COC(C)C)C3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ SMO Q99835 2/20 0.31
▸ CFTR P13569 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ METAP1 P53582 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29720410 1.00 HIF1A (0.33) HIF1ANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29720448 0.94 PDE10A (0.35) HIF1ANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24127737 0.94 PDE10A (0.35) HIF1ANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26038290 0.89 HIF1A (0.37) HIF1ANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30481819 0.88 KDM4E (0.30) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL24127764 0.88 KDM4E (0.30) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL26038980 0.88 HIF1A (0.33) HIF1ANPSR1SMN1; SMN2SMOCFTR
SCHEMBL26038293 0.86 POLB (0.38) HIF1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24128070 0.85 KDM4E (0.34) NPSR1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29720528 0.85 KDM4E (0.34) NPSR1ALDH1A1SMN1; SMN2KDM4EHPGD

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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 — — US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 — — US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 — — US disclosed
WO-2021257828-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2021-12-23 — — 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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS HIF1A 2256/4885NPSR1 4595/4885ALDH1A1 2378/4885

“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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