SCHEMBL178982

SCHEMBL178982

CN1CN(C)c2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 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
SCHEMBL24342186 0.85 GAA (0.47) GAAMAPTSMN1; SMN2LMNATP53
SCHEMBL25569654 0.80 GRIA2 (0.43) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12100575 0.78 DRD2 (0.37) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL17754706 0.77 GAA (0.42) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL15576782 0.77 SMN1; SMN2 (0.38) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL16728722 0.77 GAA (0.40) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL22313607 0.75 GAA (0.43) GAAMAPTSMN1; SMN2LMNATP53
SCHEMBL20201470 0.75 GAA (0.46) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL26350318 0.75 GAA (0.40) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL20201466 0.75 GAA (0.49) GAAMAPTSMN1; SMN2LMNATP53

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 10 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
US-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-04-29 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-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES AOC3, AOC2, OCIAD1 GAA 3060/4885MAPT 1967/4885ALDH1A1 774/4885
US-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME PYCR1, STK10, STK4 GAA 4323/4885MAPT 264/4885ALDH1A1 3885/4885

“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.