SCHEMBL17071071

SCHEMBL17071071

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7ccc6c54)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 2/20 0.37
NTSR1 P30989 1/20 0.33
NQO2 P16083 1/20 0.33
PTGES O14684 1/20 0.33
GLA P06280 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT3 P36888 1/20 0.32
BMX P51813 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PLA2G10 O15496 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17071120 0.97 ALDH1A1 (0.36) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071192 0.97 HPGD (0.37) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071282 0.93 HPGD (0.36) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071078 0.93 KDM4E (0.33) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071068 0.90 MAPT (0.40) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071123 0.90 MEN1 (0.34) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071173 0.90 MAPT (0.40) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071223 0.89 MAPT (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17071187 0.89 MAPT (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL18996151 0.88 KMT2A (0.42) ALDH1A1MAPTHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 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-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME ODC1, DDC, ESD ALDH1A1 1624/4885MAPT 2326/4885HPGD 476/4885

“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.