SCHEMBL2252001

SCHEMBL2252001

CC(C)(C)c1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KIF11 P52732 3/20 0.47
XDH P47989 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL12311647 0.98 NPC1 (0.58) NPC1RAB9ALMNATP53TSHR
SCHEMBL2252159 0.98 NPC1 (0.58) NPC1RAB9ALMNATP53TSHR
SCHEMBL6680571 0.89 NPC1 (0.72) NPC1RAB9ALMNATP53TSHR
SCHEMBL17413776 0.89 NPC1 (0.53) NPC1RAB9ALMNATP53TSHR
SCHEMBL4125159 0.87 NPC1 (0.69) NPC1RAB9ALMNATP53TSHR
SCHEMBL13871684 0.87 NPC1 (0.69) NPC1RAB9ALMNATP53TSHR
SCHEMBL15025838 0.87 KCNH2 (0.49) NPC1RAB9ALMNATP53TSHR
SCHEMBL2950922 0.86 NPC1 (0.55) NPC1RAB9ALMNATP53TSHR
SCHEMBL177404 0.84 KIF11 (0.56) NPC1RAB9ALMNATP53TSHR
SCHEMBL12367606 0.84 KIF11 (0.56) NPC1RAB9ALMNATP53TSHR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
EP-3160976-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
EP-2787053-B1 Polymeric materials MERCK PATENT GMBH (DE) 2018-11-21 EP disclosed
CN-107880027-A It is a kind of using triazine as the compound of core and its application on organic electroluminescence device 江苏三月光电科技有限公司 2018-04-06 CN disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
WO-2012048900-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) 2012-04-19 WO disclosed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US disclosed
US-20100327738-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME SHOWA DENKO K.K. (JP) 2010-12-30 US disclosed
US-20100327738-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME SHOWA DENKO K.K. (JP) 2010-12-30 US disclosed
US-20100201258-A1 ORGANIC LIGHT-EMITTING ELEMENT USING TRIAZINE RING-CONTAINING POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2010-08-12 US disclosed
US-20100201258-A1 ORGANIC LIGHT-EMITTING ELEMENT USING TRIAZINE RING-CONTAINING POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2010-08-12 US disclosed
US-20100201257-A1 TRIAZINE RING-CONTAINING POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2010-08-12 US disclosed
US-20100201257-A1 TRIAZINE RING-CONTAINING POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2010-08-12 US disclosed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 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 (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-20100201258-A1 ORGANIC LIGHT-EMITTING ELEMENT USING TRIAZINE RING-CONTAINING POLYMER COMPOUND RRP15, CDK15, RRP12 NPC1 4024/4885RAB9A 4715/4885LMNA 2424/4885
US-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF NPC1 3191/4885RAB9A 2503/4885LMNA 3401/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 NPC1 3855/4885RAB9A 1927/4885LMNA 4079/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 NPC1 3821/4885RAB9A 4287/4885LMNA 4422/4885

“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.