SCHEMBL178985

SCHEMBL178985

CN1CN(C)c2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL178982 0.74 GAA (0.45) GAAKDM4EALDH1A1MAPTHPGD
Iodide SCHEMBL30069231 0.73 MAPT (0.37) GAAKDM4EALDH1A1MAPTHRH4
SCHEMBL17754708 0.71 SMN1; SMN2 (0.40) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL256367 0.67 GRM5 (0.33) GAAKDM4EALDH1A1HRH4GLA
SCHEMBL15711361 0.64 PDE10A (0.31)
SCHEMBL24342186 0.61 GAA (0.47) GAAMAPTLMNASMN1; SMN2
SCHEMBL24850989 0.57 SIGMAR1 (0.41) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL822575 0.55 TOP2A (0.31)
SCHEMBL329247 0.55
SCHEMBL12713880 0.54

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773986-B2 Copper(I)-carbene complexes and organic electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
US-9773986-B2 Copper(I)-carbene complexes and organic electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
EP-2501707-B1 3-COORDINATE COPPER (I) - CARBENE COMPLEXES UNIV SOUTHERN CALIFORNIA (US) 2017-08-02 EP disclosed
US-20140125221-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-05-08 US disclosed
US-20140125221-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-05-08 US disclosed
US-8580394-B2 3-coordinate copper(I)-carbene complexes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
US-8580394-B2 3-coordinate copper(I)-carbene complexes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
US-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-03-08 US disclosed
WO-2011063083-A1 3-COORDINATE COPPER (I) - CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-26 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-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES AOC3, AOC2, OCIAD1 GAA 3060/4885KDM4E 4846/4885ALDH1A1 774/4885

“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.