SCHEMBL12667512

SCHEMBL12667512

CC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](F)C1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CA5A P35218 1/20 0.40
▸ ADORA2A P29274 6/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ ADORA2B P29275 3/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PDE2A O00408 3/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ DNMT3B Q9UBC3 1/20 0.38
▸ CD99 P14209 1/20 0.36

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
SCHEMBL12223717 1.00 NT5E (0.43) NT5ELMNAHIF1ACA5AADORA2A
SCHEMBL30141033 0.84 TYMP (0.42) NT5EADORA1PDE2A
SCHEMBL26355063 0.83 DOT1L (0.35) NT5EADORA2AADORA2B
SCHEMBL31359555 0.77 TYMP (0.42) NT5ELMNAHIF1ACA5AADORA2A
SCHEMBL26554236 0.75 PRMT6 (0.43) LMNAADORA1
SCHEMBL18510956 0.75 PRMT6 (0.43) LMNAADORA1
SCHEMBL20248724 0.75 PRMT6 (0.43) LMNAADORA1
SCHEMBL30140974 0.75 TYMP (0.40) NT5ELMNAHIF1ACA5AADORA2A
SCHEMBL30140968 0.75 TYMP (0.40) NT5ELMNAHIF1ACA5AADORA2A
SCHEMBL6753322 0.74 HINT1 (0.42) NT5EADORA2AADORA3ADORA2B

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-20110118339-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-05-19 — — US disclosed
US-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF ALNYLAM PHARMACEUTICALS (US) 2011-03-17 — — 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 (2 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-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF DCLRE1B, RNGTT, NSUN2 NT5E 32/4885LMNA 3915/4885HIF1A 2130/4885
US-20110118339-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF TRDMT1, NSUN3, BCDIN3D NT5E 38/4885LMNA 487/4885HIF1A 665/4885

“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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