SCHEMBL16355306

SCHEMBL16355306

c1cc(-c2ccncc2)cc(-n2nc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
PIK3CA P42336 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
APAF1 O14727 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MAPK11 Q15759 2/20 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
SCHEMBL16355317 0.95 PIK3CA (0.39) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL16355313 0.92 MAPT (0.39) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL10018446 0.91 MAPT (0.38) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL30911061 0.89 GRM5 (0.41) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL15949855 0.89 GRM5 (0.41) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL16355367 0.89 GRM5 (0.41) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL15949810 0.89 GRM5 (0.44) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL30911080 0.89 GRM5 (0.44) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL30911081 0.89 GRM5 (0.44) GRM5PIK3CAMAPTKDM4EALDH1A1
SCHEMBL16355310 0.88 PIK3CA (0.38) PIK3CAMAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140374721-A1 NOVEL BENZOTRIAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE DERIVATIVES HODOGAYA CHEMICAL CO., LTD (JP) 2014-12-25 US disclosed
US-20140374721-A1 NOVEL BENZOTRIAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE DERIVATIVES HODOGAYA CHEMICAL CO., LTD (JP) 2014-12-25 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 (3 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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 GRM5 2841/4885PIK3CA 3361/4885MAPT 2734/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 GRM5 2841/4885PIK3CA 3361/4885MAPT 2734/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT GRM5 2669/4885PIK3CA 3322/4885MAPT 2246/4885

“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.