SCHEMBL29375815

SCHEMBL29375815

CC1(C)OB(c2ccc(Cn3cnc4c(S)ncnc43)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ LPL P06858 2/20 0.41
▸ LIPG Q9Y5X9 2/20 0.41
▸ PDE10A Q9Y233 3/20 0.41
▸ DAPK1 P53355 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL22084395 1.00 ADORA2A (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084397 0.89 PDE10A (0.40) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084423 0.88 LPL (0.39) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22085119 0.86 PDE10A (0.42) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084394 0.86 ADORA2A (0.38) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084387 0.84 PDE10A (0.48) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084396 0.84 ADORA2A (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084424 0.83 PDE10A (0.38) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22085121 0.82 PDE10A (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22084385 0.82 PDE10A (0.46) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041627-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-02-10 — — 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 (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-20220041627-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF ENPP2, PAICS, TPMT ADORA2A 415/4885PI4KA 1584/4885PI4K2B 1990/4885

“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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