SCHEMBL2952172

SCHEMBL2952172

CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.55
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
METAP2 P50579 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.42
KIF11 P52732 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL27255764 0.94 TRPV1 (0.50) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL2251732 0.94 TRPV1 (0.60) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL2254924 0.94 TRPV1 (0.60) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL9958394 0.90 TRPV1 (0.48) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL19735242 0.86 KDM4E (0.60) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL12524042 0.86 TRPV1 (0.64) TRPV1ABL1BCRMETAP2RAB9A
SCHEMBL2946874 0.85 KDM4E (0.52) RAB9ANPC1KDM4ETDP1ALDH1A1
SCHEMBL2945305 0.85 KDM4E (0.52) RAB9ANPC1KDM4ETDP1ALDH1A1
SCHEMBL20648528 0.85 KDM4E (0.52) RAB9ANPC1KDM4ETDP1ALDH1A1
SCHEMBL18327518 0.85 KDM4E (0.52) RAB9ANPC1KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793494-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-9793494-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
US-20160087223-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160087223-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-2141158-B1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORP (JP) 2014-05-07 EP disclosed
US-8569485-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2013-10-29 US disclosed
US-20120313090-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-12-13 US disclosed
US-20120313090-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-12-13 US disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
EP-2141158-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT Tosoh Corporation (JP) 2010-01-06 EP disclosed
EP-2141158-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT Tosoh Corporation (JP) 2010-01-06 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 (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-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT H1-5, H1-4, H1-2 TRPV1 709/4885ABL1 1593/4885BCR 1668/4885

“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.