SCHEMBL17812846

SCHEMBL17812846

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5nn(-c6ccc(-c7c8ccccc8c(-c8cnc9ccccc9c8)c8ccccc78)cc6)nc5c4)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.47
PIK3CD O00329 4/20 0.47
MTOR P42345 3/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
BIRC5 O15392 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CYP2A6 P11509 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL30640158 0.97 PIK3CA (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805231 0.97 PIK3CA (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17812842 0.95 PIK3CA (0.46) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805260 0.93 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805254 0.92 NPC1 (0.46) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805219 0.91 PIK3CA (0.46) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805252 0.90 PIK3CA (0.46) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805188 0.89 PIK3CA (0.43) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17812867 0.86 NPC1 (0.39) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL17805201 0.86 CYP2A6 (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 9 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-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 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
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 WO disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 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 (4 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 PIK3CA 3361/4885PIK3CD 3880/4885MTOR 2594/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 PIK3CA 3361/4885PIK3CD 3880/4885MTOR 2594/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 PIK3CA 4809/4885PIK3CD 4758/4885MTOR 3707/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT PIK3CA 3322/4885PIK3CD 3842/4885MTOR 2655/4885

“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.