SCHEMBL2003349

SCHEMBL2003349

CCOCCn1cnc2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 3/20 0.47
NSD2 O96028 2/20 0.47
FDPS P14324 1/20 0.47
ADORA2A P29274 3/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2B P29275 1/20 0.47
FGFR1 P11362 3/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
FGFR4 P22455 2/20 0.45
P2RX7 Q99572 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42

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
SCHEMBL8401399 0.86 FGFR1 (0.43) NSD3NSD2FDPSADORA2AADORA1
SCHEMBL11596967 0.85 FDPS (0.52) NSD3NSD2FDPSADORA2AADORA1
SCHEMBL12653733 0.85 FDPS (0.49) FDPSADORA2AADORA1ADORA2BFGFR1
SCHEMBL23436498 0.83 ADORA2A (0.66) FDPSADORA2AADORA1ADORA2BFGFR1
SCHEMBL4364344 0.82 ADORA2A (0.70) NSD3NSD2ADORA2AADORA1ADORA2B
SCHEMBL183088 0.81 P2RX7 (0.44) ADORA2AADORA2BP2RX7LMNAHDAC6
SCHEMBL8982987 0.80 ADORA2A (0.68) FDPSADORA2AADORA1ADORA2BFGFR1
SCHEMBL31331791 0.80 ADORA2A (0.68) FDPSADORA2AADORA1ADORA2BFGFR1
SCHEMBL7832523 0.79 ADORA2A (0.64) FDPSADORA2AADORA1ADORA2BFGFR1
SCHEMBL10589823 0.79 ADORA2A (0.61) FDPSADORA2AADORA1ADORA2BFGFR1

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 7 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
EP-2245031-A2 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) 2010-11-03 EP disclosed
WO-2009086457-A2 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) 2009-07-09 WO 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 NSD3 1540/4885NSD2 893/4885FDPS 486/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP NSD3 1540/4885NSD2 893/4885FDPS 486/4885

“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.