SCHEMBL2006199

SCHEMBL2006199

CCOCCn1cnc2c(NCc3ccc(O)cc3)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.60
ADORA2A P29274 4/20 0.60
ADORA1 P30542 4/20 0.60
CDK1 P06493 7/20 0.59
CCNB2 O95067 6/20 0.59
CCNB1 P14635 6/20 0.59
CCNB3 Q8WWL7 6/20 0.59
RAB9A P51151 2/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDK2 P24941 1/20 0.45
ADORA2B P29275 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2001785 0.81 CDK1 (0.60) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL31711723 0.79 HTT (0.61) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL27734468 0.76 TMIGD3 (1.00) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL28068467 0.73 TMIGD3 (0.77) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL91115 0.73 CDK1 (0.55) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL22571186 0.73 TMIGD3 (0.81) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL27967584 0.71 TMIGD3 (0.65) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL458946 0.71 TMIGD3 (0.77) TMIGD3ADORA2AADORA1CDK1CCNB2
SCHEMBL2003349 0.71 NSD3 (0.47) ADORA2AADORA1HPGDSMN1; SMN2ADORA2B
SCHEMBL4364344 0.71 ADORA2A (0.70) ADORA2AADORA1HPGDSMN1; SMN2ADORA2B

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-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 US disclosed
US-7960397-B2 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2011-06-14 US disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 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-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP TMIGD3 3803/4885ADORA2A 9/4885ADORA1 18/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP TMIGD3 3803/4885ADORA2A 9/4885ADORA1 18/4885

“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.