SCHEMBL2754553

SCHEMBL2754553

CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 1.00
MEN1 O00255 9/20 1.00
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 8/20 1.00
MAPT P10636 5/20 1.00
HPGD P15428 5/20 1.00
RXFP1 Q9HBX9 2/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CYP2C19 P33261 1/20 1.00
ADORA3 P0DMS8 5/20 0.70
ADORA1 P30542 3/20 0.70
ADORA2A P29274 1/20 0.70
PDE10A Q9Y233 1/20 0.63
POLB P06746 2/20 0.61
PRNP P04156 1/20 0.61
GAA P10253 1/20 0.61
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ADORA2B P29275 1/20 0.57

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
SCHEMBL8485197 0.88 KMT2A (0.78) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4823120 0.83 ADORA3 (1.00) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8487704 0.82 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL171741 0.81 L3MBTL1 (0.83) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL26055757 0.80 ADORA1 (1.00) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL22281618 0.80 MAPT (0.67) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13938614 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6733885 0.79 MEN1 (0.64) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27416186 0.78 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17898392 0.78 MEN1 (0.64) KMT2AMEN1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018536-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-01-16 US disclosed
US-20140018536-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-01-16 US disclosed
US-8586206-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-11-19 US disclosed
EP-2589596-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-05-08 EP disclosed
US-20120001154-A1 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. 2012-01-05 US disclosed
US-20120001154-A1 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. 2012-01-05 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-20120001154-A1 Aromatic amine derivative and organic electroluminescence device using the same AOC3, NPR3, AOC2 KMT2A 606/4885MEN1 1265/4885ALDH1A1 1367/4885

“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.