SCHEMBL17828776

SCHEMBL17828776

Fc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccc4ccccc4c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
PIK3CD O00329 2/20 0.37
NR3C1 P04150 3/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 2/20 0.33
PTGER4 P35408 1/20 0.33
DPP4 P27487 2/20 0.33
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 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
SCHEMBL17828777 0.98 PIK3CA (0.36) PIK3CAMTORPIK3CDNR3C1EGFR
SCHEMBL17828746 0.97 NR3C1 (0.39) PIK3CAMTORPIK3CDNR3C1EGFR
SCHEMBL17828752 0.95 CYP1A1 (0.36) PIK3CAMTORPIK3CDNR3C1EGFR
SCHEMBL18213946 0.95 ATM (0.38) EGFRERBB2KDM4EATML3MBTL1
SCHEMBL17828991 0.95 ATM (0.38) EGFRERBB2KDM4EATML3MBTL1
SCHEMBL17828999 0.94 ATM (0.38) NR3C1KDM4EATML3MBTL1CYP1A1
SCHEMBL17828998 0.93 ATM (0.37) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828923 0.93 ATM (0.37) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17829130 0.93 ATM (0.38) EGFRERBB2KDM4EATML3MBTL1
SCHEMBL17879012 0.93 ATM (0.38) EGFRERBB2KDM4EATML3MBTL1

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 PIK3CA 4604/4885MTOR 3428/4885PIK3CD 4815/4885

“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.