SCHEMBL21078497

SCHEMBL21078497

C[C@]1(O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@](F)(CO)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADORA2A P29274 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ STING1 Q86WV6 2/20 0.41
▸ HPRT1 P00492 1/20 0.40
▸ TYMP P19971 3/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 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
SCHEMBL19859857 0.86 ADORA3 (0.46) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL15833215 0.85 ADORA3 (0.52) ADORA3ADORA2ASTING1
SCHEMBL15833022 0.85 ADORA3 (0.52) ADORA3ADORA2ASTING1
SCHEMBL15837259 0.83 ADORA3 (0.39) ADORA3ADORA2ASTING1
SCHEMBL19859805 0.82 ADORA2A (0.62) ADORA3MAPK1ADORA2A
SCHEMBL17467675 0.81 TAS1R3 (0.39) ADORA3ADORA2A
SCHEMBL31228204 0.79 ADORA2A (0.50) ADORA3LMNAADORA2A
SCHEMBL12149438 0.78 ADORA2A (0.66) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL13559257 0.78 ADORA2A (0.66) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL13559231 0.78 ADORA2A (0.66) ADORA3ALDH1A1LMNAALBMAPK1

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 90/4885ALDH1A1 2186/4885LMNA 982/4885

“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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