SCHEMBL16420338

SCHEMBL16420338

Cc1cc(N2c3ncccc3N(C)[C@H]2C)c(C)c(N2c3ncccc3N(C)[C@@H]2C)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2A6 P11509 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16420345 0.91 GAA (0.40) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL16420315 0.88 ALDH1A1 (0.33) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL19294144 0.86 GAA (0.31) GAAALDH1A1
SCHEMBL12092099 0.84 GAA (0.40) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL24444108 0.83 KDM4E (0.38) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL11995100 0.83 KDM4E (0.38) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL16726495 0.83 KDM4E (0.38) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL16420354 0.83 PTPN2 (0.31) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL25482277 0.81 GAA (0.33) GAAALDH1A1HPGDADORA3ADORA2A
SCHEMBL16769701 0.80 KDM4E (0.32) GAAALDH1A1KDM4EHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170250354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-08-31 US disclosed
US-20170250354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-08-31 US disclosed
US-9748504-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-08-29 US disclosed
US-9748504-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-08-29 US disclosed
US-20150280146-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-01 US disclosed
US-20150028290-A1 HETEROLEPTIC OSMIUM COMPLEX AND METHOD OF MAKING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2015-01-29 US disclosed
US-20150028290-A1 HETEROLEPTIC OSMIUM COMPLEX AND METHOD OF MAKING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2015-01-29 US disclosed
EP-2830109-A1 Heteroleptic osmium complex and method of making the same Universal Display Corporation (US) 2015-01-28 EP 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-20150280146-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, SSB, RO60 GAA 3572/4885ALDH1A1 2401/4885KDM4E 2698/4885
US-20170250354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBPL3, OR10J3, OSBP2 GAA 4541/4885ALDH1A1 1215/4885KDM4E 3560/4885

“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.