SCHEMBL17847258

SCHEMBL17847258

Nc1nc2c(NCc3ccco3)ncnc2n1C1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ CCNB2 O95067 2/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CCNB3 Q8WWL7 2/20 0.46
▸ TP53 P04637 3/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK10 P53779 1/20 0.41

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
SCHEMBL17847254 0.90 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847259 0.89 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847284 0.89 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847285 0.87 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL19714957 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847270 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847255 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847298 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847261 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1CCNB2CDK1
SCHEMBL17847260 0.84 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1CCNB2CDK1

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 SMN1; SMN2 3293/4885RAB9A 1999/4885NPC1 3580/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 SMN1; SMN2 3293/4885RAB9A 1999/4885NPC1 3580/4885

“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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