SCHEMBL17071111

SCHEMBL17071111

c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6ccc5c43)nc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.44
NUDT1 P36639 3/20 0.38
ADORA2A P29274 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL17071155 0.96 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21888002 0.93 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23741309 0.92 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL24036850 0.89 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17206528 0.87 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19961598 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864145 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16546998 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22223383 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23132534 0.85 KMT2A (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1

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 1624/4885HPGD 476/4885KDM4E 660/4885

“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.