SCHEMBL10101558

SCHEMBL10101558

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.35
▸ DOT1L Q8TEK3 2/20 0.35
▸ DCLK1 O15075 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ HIPK4 Q8NE63 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35

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
SCHEMBL10101494 0.88 ACVRL1 (0.35) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL10101560 0.88 ACVRL1 (0.35) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL10101562 0.87 ACVRL1 (0.40) DOT1LACVRL1ADORA3ADORA2ADPP4
SCHEMBL10101568 0.87 PIK3CD (0.36) DOT1LACVRL1ADORA3ADORA2ADPP4
SCHEMBL10101583 0.84 NPC1 (0.40) DOT1LACVRL1ADORA3ADORA2ADPP4
SCHEMBL10101588 0.84 HIF1A (0.35) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL10101578 0.84 KDM4E (0.36) ADKDOT1LCDK1CDK2ACVRL1
SCHEMBL10101575 0.84 CSNK2A2 (0.34) DOT1LACVRL1ADORA3ADORA2ADPP4
SCHEMBL10101611 0.84 DOT1L (0.40) ADKDOT1LACVRL1ADORA3ADORA2A
SCHEMBL10101603 0.83 ACVRL1 (0.33) ADKDOT1LACVRL1ADORA3ADORA2A

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 ADK 72/4885DOT1L 3212/4885DCLK1 1163/4885

“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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