SCHEMBL15959617

SCHEMBL15959617

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5nn(-c6ccc(-c7ccncc7)cc6)nc5c4)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
STAT1 P42224 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
ALK Q9UM73 1/20 0.39
IMPDH2 P12268 1/20 0.39
HPGD P15428 3/20 0.38
GRK2 P25098 1/20 0.38
NOTUM Q6P988 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
DHODH Q02127 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL16355359 0.96 PIK3CA (0.45) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL10018431 0.96 PIK3CA (0.45) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL16355319 0.94 KDM4E (0.43) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL30911057 0.89 MAPK1 (0.42) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL15950113 0.89 MAPK1 (0.42) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL16355358 0.89 GRM5 (0.44) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL15959614 0.88 KDM4E (0.45) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL16355349 0.88 MAPK10 (0.39) PIK3CAROCK2CHEK1
SCHEMBL17805244 0.88 NPC1 (0.42) PIK3CAKDM4EMAPTALDH1A1NPC1
SCHEMBL30911081 0.88 GRM5 (0.44) PIK3CAKDM4EMAPTALDH1A1NPC1

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 12 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
EP-3244462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-15 EP disclosed
EP-3240057-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-01 EP disclosed
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 WO 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
EP-2767534-A1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED Hodogaya Chemical Co., Ltd. (JP) 2014-08-20 EP 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 PIK3CA 3361/4885KDM4E 1822/4885MAPT 2734/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 PIK3CA 3361/4885KDM4E 1822/4885MAPT 2734/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT PIK3CA 3322/4885KDM4E 1225/4885MAPT 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.