SCHEMBL10101516

SCHEMBL10101516

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 6/20 0.34
▸ CSNK2A1 P68400 6/20 0.34
▸ ACVRL1 P37023 5/20 0.33
▸ PIK3CD O00329 4/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ TNK2 Q07912 2/20 0.31
▸ ADORA2A P29274 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
SCHEMBL10101508 0.92 PIK3CD (0.37) CSNK2A2CSNK2A1ACVRL1PIK3CD
SCHEMBL10101517 0.90 CSNK2A2 (0.33) CSNK2A2CSNK2A1ACVRL1PIK3CDNTRK1
SCHEMBL10101515 0.89 ACVRL1 (0.33) CSNK2A2CSNK2A1ACVRL1PIK3CDNTRK1
SCHEMBL10101520 0.88 NPC1 (0.36) CSNK2A2CSNK2A1ACVRL1PIK3CDADORA2A
SCHEMBL13519808 0.86 ADORA2A (0.41) CSNK2A2CSNK2A1ACVRL1NTRK1TNK2
SCHEMBL647116 0.86 ADORA2A (0.41) CSNK2A2CSNK2A1ACVRL1NTRK1TNK2
SCHEMBL10101497 0.85 ACVRL1 (0.38) ACVRL1PIK3CD
SCHEMBL10101487 0.85 ACVRL1 (0.35) ACVRL1PIK3CDADORA2A
SCHEMBL10101503 0.85 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL13519791 0.84 ADORA2A (0.34) CSNK2A2CSNK2A1ACVRL1PIK3CDTNK2

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 CSNK2A2 4716/4885CSNK2A1 4695/4885ACVRL1 4215/4885

“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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