SCHEMBL17847680

SCHEMBL17847680

CC(C)=CCNc1ncnc2c1nc(Br)n2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.37

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
SCHEMBL17847685 0.92 NPC1 (0.41) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847688 0.92 NPC1 (0.41) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847682 0.91 SLC29A1 (0.43) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847272 0.91 SLC29A1 (0.41) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847266 0.89 SLC29A1 (0.40) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847263 0.88 CDK1 (0.43) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847273 0.87 CDK1 (0.42) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL17847291 0.87 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL19714935 0.85 SLC29A1 (0.46) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL19714879 0.84 SLC29A1 (0.44) CCNB2CDK1CCNB1CCNB3NPC1

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 5 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
EP-3233861-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) 2017-10-25 — — EP disclosed
WO-2016095880-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) 2016-06-23 — — 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 (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 CCNB2 733/4885CDK1 556/4885CCNB1 1219/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 CCNB2 733/4885CDK1 556/4885CCNB1 1219/4885

“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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