SCHEMBL17577913

SCHEMBL17577913

CN1NN(c2ccccc2)CC1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 3/20 0.43
GFER P55789 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RIPK1 Q13546 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17577923 0.78 GAA (0.42) ALDH1A1GAAG6PDL3MBTL1ALOX5
SCHEMBL17577892 0.73 MAOB (0.42) ALDH1A1GAAG6PDL3MBTL1ALOX5
SCHEMBL16488067 0.65 ALDH1A1 (0.44) ALDH1A1MAPTRIPK1KDM4EKMT2A
SCHEMBL20993167 0.65 RIPK1 (0.48) NPEPPSGFERALDH1A1MAPTRIPK1
SCHEMBL12002257 0.64 MAPT (0.47) NPEPPSGFERALDH1A1MAPTRIPK1
SCHEMBL3182932 0.64 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL14235834 0.64 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL29352077 0.64 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL6884740 0.64 RIPK1 (0.57) NPEPPSALDH1A1MAPTRIPK1KMT2A
SCHEMBL19463939 0.64 CHRNB2 (0.56) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991997-B1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-02-21 EP disclosed
US-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-03-10 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 (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-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs OCIAD1, OCIAD2, TRPM6 NPEPPS 4191/4885GFER 2837/4885ALDH1A1 1873/4885

“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.