SCHEMBL21311199

SCHEMBL21311199

Cc1ccc2c(c1)c1ccc(C)cc1n2CCNCC1OCC(O)(n2cnc3c(N)ncnc32)C1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GMPS P49915 1/20 0.35
▸ ADORA2A P29274 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC28A1 O00337 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AHCY P23526 1/20 0.32
▸ PNMT P11086 3/20 0.32
▸ PI4KA P42356 2/20 0.32
▸ PI4K2B Q8TCG2 2/20 0.32
▸ PI4K2A Q9BTU6 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.31
▸ NNMT P40261 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
SCHEMBL21311196 0.95 DOT1L (0.34) GMPSADORA2AADORA3SLC28A1ALDH1A1
SCHEMBL20097182 0.95 GMPS (0.35) GMPSADORA2AADORA3SLC28A1ALDH1A1
SCHEMBL21311401 0.93 DOT1L (0.36) GMPSADORA2AADORA3SLC28A1PI4KA
SCHEMBL21311205 0.93 GMPS (0.33) GMPSADORA2AADORA3SLC28A1PI4KA
SCHEMBL21311200 0.89 NNMT (0.34) GMPSADORA2AADORA3SLC28A1PNMT
SCHEMBL21311192 0.87 DOT1L (0.37) GMPSADORA2AADORA3SLC28A1ALDH1A1
SCHEMBL21311198 0.87 NNMT (0.34) GMPSSLC28A1PNMTPI4KAPI4K2B
SCHEMBL21311211 0.86 PNMT (0.36) GMPSADORA2AADORA3AHCYPNMT
SCHEMBL21311203 0.85 DOT1L (0.38) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL21311209 0.84 DOT1L (0.38) GMPSPNMTDOT1L

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 GMPS 847/4885ADORA2A 2943/4885ADORA3 2754/4885

“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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