SCHEMBL21046368

SCHEMBL21046368

C#C[C@]1(O)[C@H](n2cnc3c(N(C(=O)O)C(C)(C)C)ncnc32)O[C@](F)(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.38
▸ NT5E P21589 7/20 0.34
▸ TRDMT1 O14717 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPEPPS P55786 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 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
SCHEMBL19859850 0.86 TYMP (0.39) TYMPNT5EADORA2AADORA2B
SCHEMBL21046369 0.85 TYMP (0.37) TYMPNT5EADORA2AADORA2B
SCHEMBL19859710 0.84 TYMP (0.38) TYMPNT5EADORA2AADORA2B
SCHEMBL21046387 0.82 ADORA2A (0.34) NT5ENPEPPSANPEPLMNAADORA2A
SCHEMBL21046383 0.82 ADORA2A (0.33) NT5ENPEPPSANPEPLMNAADORA2A
SCHEMBL19859764 0.76 ADORA1 (0.39) ADORA2AADORA2B
SCHEMBL30138547 0.76 ADORA1 (0.39) ADORA2AADORA2B
SCHEMBL21046386 0.75 TYMP (0.34) TYMPADORA2AADORA2B
SCHEMBL19859763 0.74 TYMP (0.33) TYMPNT5EADORA2AADORA2B
SCHEMBL19859810 0.74 TYMP (0.33) TYMPNT5EADORA2AADORA2B

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 TYMP 11/4885NT5E 13/4885TRDMT1 63/4885

“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.

Send feedback