SCHEMBL10029005

SCHEMBL10029005

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5ccc6cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc7ccc(c4)c5c67)nc3)c3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP11B1 P15538 2/20 0.33
SGK1 O00141 1/20 0.32
CYP11B2 P19099 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
FTO Q9C0B1 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
DHFR P00374 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL10028992 0.86 RXRA (0.34) RXRARXRB
SCHEMBL10028997 0.86 RXRA (0.34) RXRARXRB
SCHEMBL10029012 0.82 MAPK9 (0.38) CYP11B1CYP11B2SLC22A12MAPK9MAPK10
SCHEMBL16271347 0.81 CYP1A2 (0.37) MEN1KMT2ARXRARXRBKDM4E
SCHEMBL10029011 0.80 CYP11B1 (0.31) CYP11B1
SCHEMBL10029004 0.80 CYP11B1 (0.31) CYP11B1
SCHEMBL12019896 0.79 RXRA (0.36) CYP11B1CYP11B2RXRARXRBKDM4E
SCHEMBL12019775 0.79 RXRA (0.36) CYP11B1CYP11B2RXRARXRBKDM4E
SCHEMBL24154500 0.78 ESR1 (0.40) CYP11B1SGK1CYP11B2RXRARXRB
SCHEMBL15731083 0.78 CYP11B1 (0.38) ADORA2AADORA1CYP11B1CYP11B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 ADORA2A 18/4885ADORA1 15/4885CYP11B1 2429/4885

“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.