SCHEMBL10101487

SCHEMBL10101487

C[C@@H]1[C@@H](CO)O[C@@H](c2cc(I)c3c(N)ncnn23)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 9/20 0.35
▸ PIK3CD O00329 3/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ ADK P55263 2/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ DCLK1 O15075 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CLK2 P49760 1/20 0.31

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
SCHEMBL10101488 0.90 ACVRL1 (0.34) ACVRL1PIK3CDADORA2API4KAPI4K2B
SCHEMBL10101492 0.88 ACVRL1 (0.34) ACVRL1PIK3CDADORA2API4KAPI4K2B
SCHEMBL10101497 0.87 ACVRL1 (0.38) ACVRL1PIK3CD
SCHEMBL10101503 0.87 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL7598953 0.85 ADORA2A (0.43) ACVRL1PIK3CDADORA2AADKDOT1L
SCHEMBL13519842 0.85 ADORA2A (0.43) ACVRL1PIK3CDADORA2AADKDOT1L
SCHEMBL10101520 0.85 NPC1 (0.36) ACVRL1PIK3CDADORA2API4KAPI4K2B
SCHEMBL10101546 0.85 ADK (0.36) ACVRL1PIK3CDADORA2API4KAPI4K2B
SCHEMBL10101508 0.85 PIK3CD (0.37) ACVRL1PIK3CDADKCDK1CDK2
SCHEMBL10101530 0.85 ACVRL1 (0.33) ACVRL1ADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119607-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-21 — — US disclosed
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-02-11 — — 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 (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-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885PIK3CD 636/4885ADORA2A 69/4885

“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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