SCHEMBL19859710

SCHEMBL19859710

C#C[C@]1(O)[C@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)ncnc32)O[C@](F)(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.38
▸ ADORA1 P30542 1/20 0.36
▸ ADORA2A P29274 3/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ NT5E P21589 2/20 0.33

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
SCHEMBL30138547 0.92 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3PRKAG1
SCHEMBL19859764 0.92 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3PRKAG1
SCHEMBL19859850 0.91 TYMP (0.39) TYMPADORA1ADORA2AADORA2BADORA3
SCHEMBL21046386 0.88 TYMP (0.34) TYMPADORA1ADORA2AADORA2BADORA3
SCHEMBL21046369 0.88 TYMP (0.37) TYMPADORA1ADORA2AADORA2BADORA3
SCHEMBL21046368 0.84 TYMP (0.38) TYMPADORA2AADORA2BNT5E
SCHEMBL19859742 0.82 NT5E (0.36) ADORA1ADORA2AADORA2BADORA3NT5E
SCHEMBL19859716 0.81 NT5E (0.36) ADORA1ADORA2AADORA2BADORA3NT5E
SCHEMBL19859357 0.81 ADORA3 (0.44) ADORA1ADORA2AADORA2BADORA3PRKAG1
SCHEMBL19859365 0.81 ADORA3 (0.51) ADORA1ADORA2AADORA2BADORA3PRKAG1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497111-A2 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen BioPharma, Inc. (US) 2019-06-19 — — EP disclosed
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — US disclosed
WO-2018031818-A2 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2018-02-15 — — WO 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 11/4885ADORA1 114/4885ADORA2A 71/4885

“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