SCHEMBL10029012

SCHEMBL10029012

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5ccc6cc(N(c7ccncc7)c7ccc8ccccc8c7)cc7ccc(c4)c5c67)cc3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.38
MAPK10 P53779 5/20 0.38
MAPK8 P45983 3/20 0.38
CSNK1D P48730 6/20 0.35
MAPK11 Q15759 6/20 0.35
MAPK14 Q16539 6/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PIK3CA P42336 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL10028997 0.93 RXRA (0.34) RXRARXRB
SCHEMBL10028992 0.93 RXRA (0.34) RXRARXRB
SCHEMBL16271347 0.84 CYP1A2 (0.37) KDM4EALDH1A1MAPTHPGDRXRA
SCHEMBL24154500 0.84 ESR1 (0.40) CYP17A1CYP19A1CYP11B1CYP11B2RXRA
SCHEMBL19660373 0.83 ESR1 (0.39) KDM4EALDH1A1MAPTHPGDCYP17A1
SCHEMBL13903631 0.83 RXRA (0.39) KDM4EALDH1A1MAPTHPGDRXRA
SCHEMBL26374801 0.83 RXRA (0.39) KDM4EALDH1A1MAPTHPGDRXRA
SCHEMBL10029005 0.82 ADORA2A (0.33) MAPK9MAPK10KDM4ESLC22A12CYP11B1
SCHEMBL10029003 0.81 KDM4E (0.33) MAPK9MAPK10MAPK8MAPK14KDM4E
SCHEMBL12128434 0.80 RELA (0.39) KDM4EALDH1A1MAPTRXRARXRB

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 MAPK9 1045/4885MAPK10 570/4885MAPK8 2814/4885

“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.