SCHEMBL13299541

SCHEMBL13299541

Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PDE10A Q9Y233 9/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ACSS2 Q9NR19 1/20 0.36

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
SCHEMBL13299539 0.88 NLRP3 (0.52) NLRP3SIRT2SIRT1PDE10ATP53
SCHEMBL13299524 0.87 ESR1 (0.48) TP53ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13299543 0.83 NLRP3 (0.52) NLRP3SIRT2SIRT1PDE10ATP53
SCHEMBL13299528 0.81 NLRP3 (0.52) NLRP3SIRT2SIRT1PDE10ATP53
SCHEMBL13299532 0.80 NLRP3 (0.57) NLRP3SIRT2SIRT1PDE10ATP53
SCHEMBL13299596 0.79 NLRP3 (0.56) NLRP3SIRT2SIRT1PDE10ATP53
SCHEMBL24477051 0.78 TP53 (0.45) TP53ALDH1A1MAPTSMN1; SMN2ESR1
SCHEMBL15940224 0.77 NLRP3 (0.47) NLRP3SIRT2SIRT1TP53MAPT
SCHEMBL19431665 0.77 MAPK1 (0.43) SMN1; SMN2
SCHEMBL1104831 0.76 NLRP3 (0.61) NLRP3SIRT2SIRT1PDE10AALDH1A1

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
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 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 (1 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 NLRP3 651/4885SIRT2 2217/4885SIRT1 2613/4885

“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.