SCHEMBL14243729

SCHEMBL14243729

CCNc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.59
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GPR3 P46089 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 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
SCHEMBL8757524 0.81 PARP14 (0.55) UTS2RALDH1A1GPR3HSD17B10PARP14
SCHEMBL3990873 0.76 UTS2R (0.46) UTS2RCYP3A4CYP2D6KCNH2GABRP
SCHEMBL23416568 0.74 MEN1 (0.57) IMPDH2IMPDH1CYP3A4ALDH1A1GPR3
SCHEMBL30981590 0.74 MEN1 (0.57) IMPDH2IMPDH1CYP3A4ALDH1A1GPR3
SCHEMBL6009655 0.74 BCHE (0.58) UTS2RBCHEACHEIMPDH2IMPDH1
SCHEMBL29475607 0.74 BCHE (0.58) UTS2RBCHEACHEIMPDH2IMPDH1
SCHEMBL3881403 0.73 UTS2R (0.46) UTS2RCYP3A4CYP2D6KCNH2GABRP
SCHEMBL6007652 0.73 BCHE (0.61) UTS2RBCHEACHEIMPDH2IMPDH1
SCHEMBL27973848 0.72 IMPDH2 (0.49) UTS2RBCHEACHEIMPDH2IMPDH1
SCHEMBL14023489 0.71 IDO1 (0.43) UTS2RBCHEACHECYP3A4ALDH1A1

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-3415521-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC Ireland Limited (IE) 2018-12-19 EP disclosed
EP-2721043-B1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-08-29 EP disclosed
US-9315724-B2 Metal complexes comprising azabenzimidazole carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-04-19 US disclosed
EP-2721043-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2014-04-23 EP disclosed
CN-103732603-A Metal complexes comprising azabenzimidazole carbene ligands and their use in OLEDs BASF SE 2014-04-16 CN disclosed
US-20120319050-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-12-20 US disclosed
WO-2012172482-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-12-20 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-20120319050-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, OXA1L UTS2R 4239/4885BCHE 4262/4885ACHE 1597/4885

“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.