SCHEMBL19714876

SCHEMBL19714876

CC(=CCNc1ncnc2c1nc(OCc1ccccc1)n2C1CCCCO1)CO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ ADORA2A P29274 6/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA2B P29275 4/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TMIGD3 P0DMS9 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
SCHEMBL19714878 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17847294 0.99 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17847295 0.99 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL19714941 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL19714942 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847280 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17847688 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ADORA2AADORA3
SCHEMBL19714854 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL19714855 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847685 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ADORA2AADORA3

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

“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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