SCHEMBL19714872

SCHEMBL19714872

CC(C)=CCNc1ncnc2c1nc(NCCCN)n2C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.42
▸ CDK1 P06493 4/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ PRKACA P17612 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCNA1 P78396 1/20 0.34

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
SCHEMBL19715019 0.97 SLC29A1 (0.42) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847304 0.97 SLC29A1 (0.43) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847266 0.95 SLC29A1 (0.40) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL19714879 0.95 SLC29A1 (0.44) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL19714935 0.90 SLC29A1 (0.46) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847272 0.90 SLC29A1 (0.41) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL19714934 0.86 CDK1 (0.39) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847682 0.86 SLC29A1 (0.43) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847683 0.85 CDK1 (0.38) SLC29A1CDK1CCNB2CCNB1CCNB3
SCHEMBL17847273 0.83 CDK1 (0.42) SLC29A1CDK1CCNB2CCNB1CCNB3

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-3233861-B1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL) PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-04-10 — — EP disclosed
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-10-09 — — US disclosed
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2017-12-21 — — 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-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS PNP, UNG, NUDT1 SLC29A1 194/4885CDK1 556/4885CCNB2 733/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 SLC29A1 194/4885CDK1 556/4885CCNB2 733/4885

“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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